2-Acetamido-4-methyl-5-thiazolesulfonyl chloride - CAS 69812-29-9

Catalog:	BB033980
Product Name:	2-Acetamido-4-methyl-5-thiazolesulfonyl chloride
CAS:	69812-29-9
Synonyms:	2-acetamido-4-methyl-1,3-thiazole-5-sulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-acetamido-4-methyl-1,3-thiazole-5-sulfonyl chloride
Description:	2-Acetamido-4-methyl-5-thiazolesulfonyl chloride (CAS# 69812-29-9) is a useful research chemical.
Molecular Weight:	254.71
Molecular Formula:	C6H7ClN2O3S2
Canonical SMILES:	CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)Cl
InChI:	InChI=1S/C6H7ClN2O3S2/c1-3-5(14(7,11)12)13-6(8-3)9-4(2)10/h1-2H3,(H,8,9,10)
InChI Key:	NXGKPRKPUCSEIL-UHFFFAOYSA-N
Density:	1.61 g/cm 3
Appearance:	White to off-white powder
MDL:	MFCD00005320
LogP:	2.49120

Publication Number	Title	Priority Date
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Related Functional Groups

Oxazole/Thiazole

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	327
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.9586621
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.9586621
Rotatable Bond Count:	2
Topological Polar Surface Area:	113 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2