5-Chloro-N-methyl-2-benzothiazolamine - CAS 34551-17-2

Catalog:	BB062382
Product Name:	5-Chloro-N-methyl-2-benzothiazolamine
CAS:	34551-17-2
Synonyms:	5-Chloro-2-(methylamino)benzothiazole

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-N-methyl-1,3-benzothiazol-2-amine
Description:	5-Chloro-N-methyl-2-benzothiazolamine is a useful synthetic intermediate.
Molecular Weight:	198.67
Molecular Formula:	C8H7ClN2S
Canonical SMILES:	CNC1=NC2=C(S1)C=CC(=C2)Cl
InChI:	InChI=1S/C8H7ClN2S/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11)
InChI Key:	ZIYKFNBOSWDWSJ-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0018471
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.0018471
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3