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5-Amino-3-methyl-4-isothiazolecarbonitrile

5-Amino-3-methyl-4-isothiazolecarbonitrile structure

CAS No:
41808-35-9
Formula:
C5H5N3S
Chemical Name:
5-Amino-3-methyl-4-isothiazolecarbonitrile
Synonyms:
4-Isothiazolecarbonitrile,5-amino-3-methyl-;5-Amino-3-methyl-4-isothiazolecarbonitrile;5-Amino-4-cyano-3-methylisothiazole;5-Amino-3-methylisothiazole-4-carbonitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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5-Amino-3-methyl-4-isothiazolecarbonitrile Basic Attributes

Molecular Weight：

139.1783

Exact Mass：

139.18

DSSTox ID：

DTXSID00363506

HScode：

2934999090

Characteristics

PSA：

90.9

XLogP3：

0.45

Density：

1.4±0.1 g/cm3

Melting Point：

202 °C @ Solvent: Ethyl acetate, Ligroine

Boiling Point：

198.6±40.0 °C at 760 mmHg

Flash Point：

73.9±27.3 °C

Refractive Index：

1.610

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:139.18
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:139.02041835
Monoisotopic Mass:139.02041835
Topological Polar Surface Area:90.9
Heavy Atom Count:9
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Amino-3-methyl-4-isothiazolecarbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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Latest News
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5-Amino-3-methyl-4-isothiazolecarbonitrile

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