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2-Methylbenzothiazole-6-sulfonyl Chloride

2-Methylbenzothiazole-6-sulfonyl Chloride - CAS 21431-13-0

Catalog:	BB016850
Product Name:	2-Methylbenzothiazole-6-sulfonyl Chloride
CAS:	21431-13-0
Synonyms:	2-methyl-1,3-benzothiazole-6-sulfonyl chloride; 2-methyl-1,3-benzothiazole-6-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2-methyl-1,3-benzothiazole-6-sulfonyl chloride
Description:	2-Methylbenzothiazole-6-sulfonyl Chloride (CAS# 21431-13-0) is a useful research chemical.
Molecular Weight:	247.72
Molecular Formula:	C8H6ClNO2S2
Canonical SMILES:	CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)Cl
InChI:	InChI=1S/C8H6ClNO2S2/c1-5-10-7-3-2-6(14(9,11)12)4-8(7)13-5/h2-4H,1H3
InChI Key:	PMMBRDLKYRRHMI-UHFFFAOYSA-N
Boiling Point:	380.5 °C at 760 mmHg
Density:	1.556 g/cm³
Appearance:	Solid
MDL:	MFCD03990571
LogP:	3.61300

Publication Number	Title	Priority Date
WO-2021127337-A1	Trpml modulators	20191219
CA-2820550-A1	Purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative with inhibitory activity against raf kinase	20101202
CA-2820550-C	Purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative with inhibitory activity against raf kinase	20101202
EP-2647637-A2	Novel purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative, pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition with inhibitory activity against raf kinase, containing same as active ingredient	20101202
EP-2647637-B1	Purinylpyridinylamino-2,4-difluorophenyl sulfonamide derivative, pharmaceutically acceptable salt thereof, preparation method thereof, and pharmaceutical composition with inhibitory activity against raf kinase, containing same as active ingredient	20101202

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Related Functional Groups

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
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[85-47-2]
1-Naphthalenesulfonic acid
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[1778-09-2]
4'-(Methylthio)acetophenone
[874-87-3]
4-(Methylthio)benzyl chloride

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	314
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.9528485
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	246.9528485
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8