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2-Methylpropanethioamide

2-Methylpropanethioamide structure

CAS No:
13515-65-6
Formula:
C4H9NS
Chemical Name:
2-Methylpropanethioamide
Synonyms:
2-methylpropanoylthioamide; 2-methylpropylthioamide; 2-methyl propanethioamide; Thioisobutyramide; ISOBUTYLTHIOAMIDE; Propanethioamide,2-methyl; ISOBUTYRTHIOAMIDE; isopropyl thioamide;Expand
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Methylpropanethioamide Basic Attributes

Molecular Weight：

103.18600

Exact Mass：

103.04557046

DSSTox ID：

DTXSID10447922

HScode：

2930909090

Characteristics

PSA：

58.11000

XLogP3：

1.62880

Density：

0.995g/cm3

Boiling Point：

147.4ºC

Flash Point：

42.9ºC

Refractive Index：

1.517

Vapor Pressure：

4.432mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:103.19
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:103.04557046
Monoisotopic Mass:103.04557046
Topological Polar Surface Area:58.1
Heavy Atom Count:6
Complexity:58.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Methylpropanethioamide

CAS No.: 13515-65-6

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