2-Aminobenzothiazole-6-carbonitrile - CAS 19759-66-1

Catalog:	BB015273
Product Name:	2-Aminobenzothiazole-6-carbonitrile
CAS:	19759-66-1
Synonyms:	2-amino-1,3-benzothiazole-6-carbonitrile; 2-amino-1,3-benzothiazole-6-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-amino-1,3-benzothiazole-6-carbonitrile
Description:	2-Aminobenzothiazole-6-carbonitrile (CAS# 19759-66-1) is a useful research chemical.
Molecular Weight:	175.21
Molecular Formula:	C8H5N3S
Canonical SMILES:	C1=CC2=C(C=C1C#N)SC(=N2)N
InChI:	InChI=1S/C8H5N3S/c9-4-5-1-2-6-7(3-5)12-8(10)11-6/h1-3H,(H2,10,11)
InChI Key:	GDFCZZHSWGWCHP-UHFFFAOYSA-N
Boiling Point:	399.69 °C at 760 mmHg
Density:	1.452 g/cm³
LogP:	2.33138

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[158387-00-9]
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile

GHS Hazard Statement:	H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.02041835
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.02041835
Rotatable Bond Count:	0
Topological Polar Surface Area:	90.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9