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CAS 1251734-12-9 tert-Butyl (5-Methylthiophen-3-yl)carbaMate molecular structure lightbox
CAS RN: 1251734-12-9

tert-Butyl (5-Methylthiophen-3-yl)carbaMate

  • Product code: SSC-029878
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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: 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • 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 1251734-12-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g -- 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g -- 1 In Stock Shanghai Inquiry
5g >97% 1 In Stock Beijing Inquiry
10g -- 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry

1251734-12-9 / tert-butyl N-(5-methylthiophen-3-yl)carbamate

Standard CAS: 1251734-12-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1251734-12-9
Multi CAS
No
Molecular Formula
C10H15NO2S
Molecular Weight
213.300000
Exact Mass
213.082350
SMILES
CC1=CC(=CS1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H15NO2S/c1-7-5-8(6-14-7)11-9(12)13-10(2,3)4/h5-6H,1-4H3,(H,11,12)
InChIKey
VIPISFZPXVBJCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.91
TPSA
38.33

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
2.6
Consensus LogP
3
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly 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)
-1.6

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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