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CAS 107819-90-9 N,N’-Bis(tert-butoxycarbonyl)-S-methylisothiourea molecular structure lightbox
CAS RN: 107819-90-9

N,N’-Bis(tert-butoxycarbonyl)-S-methylisothiourea

Product Availability

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11 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260519 100g In stock Inquiry
Batchno.20250615 1g In stock Inquiry
Batchno.20260101 25g Out of stock Inquiry
Batchno.20260414 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251007 100g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20260404 1g In stock Shanghai Inquiry
Batchno.20250925 2.5kg Out of stock 5-7 business days Inquiry
Batchno.20250613 25g In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250821 500g In stock Shandong, Chongqing Inquiry
Batchno.20260222 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260503 100g In stock Shanghai, Chongqing Inquiry
  • Product code: SSC-009196
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 100g, 1g, 25g, 5g, 500g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 107819-90-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry
100g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 4 In Stock Hong Kong Inquiry
25g ≥95% 3 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry
500g ≥95% 1 In Stock Hong Kong Inquiry

107819-90-9 / tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-methylsulfanylmethylidene]carbamate

1,3-Di-Boc-2-methylisothiourea | RefChem:414198 | 690-396-7

Standard CAS: 107819-90-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107819-90-9
Multi CAS
Yes
Molecular Formula
C12H22N2O4S
Molecular Weight
290.380000
Exact Mass
290.130028
SMILES
CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)SC
InChI
InChI=1S/C12H22N2O4S/c1-11(2,3)17-9(15)13-8(19-7)14-10(16)18-12(4,5)6/h1-7H3,(H,13,14,15,16)
InChIKey
UQJXXWHAJKRDKY-UHFFFAOYSA-N
Synonyms
1,3-Di-Boc-2-methylisothiourea RefChem:414198 690-396-7 1,3-Bis(tert-butoxycarbonyl)-2-methyl-2-thiopseudourea MFCD00239356

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.55
TPSA
76.99

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
3.7
Consensus LogP
3.22
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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