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CAS 101410-18-8 (S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 101410-18-8

(S)-2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250613 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251113 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250711 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250621 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-002251
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • 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 101410-18-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shenzhen Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g -- 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g -- 5 In Stock Hong Kong Inquiry
5g >95% 5 In Stock Beijing Inquiry

101410-18-8 / tert-butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate

tert-butyl 2-carbamothioylpyrrolidine-1-carboxylate | RefChem:892552 | 822-901-5

Standard CAS: 101410-18-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101410-18-8
Multi CAS
Yes
Molecular Formula
C10H18N2O2S
Molecular Weight
230.330000
Exact Mass
230.108899
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=S)N
InChI
InChI=1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-6-4-5-7(12)8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)/t7-/m0/s1
InChIKey
KPAOKCBKJXBXNI-ZETCQYMHSA-N
Synonyms
tert-butyl 2-carbamothioylpyrrolidine-1-carboxylate RefChem:892552 822-901-5 1-BOC-2-CARBAMOTHIOYLPYRROLIDINE 2-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.75
TPSA
55.56

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
0.6
Consensus LogP
1.25
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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