AC1N3BH9 structure

AC1N3BH9

5-bromo-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

Also Known As: Oprea1_796462|SR-01000010447-1|F1105-0403|(Z)-5-bromo-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)thiophene-2-carboxamide|5-bromo-N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]thiophene-2-carboxamide|5-bromo-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide|5-bromo-N-(3-methyl-6-methylsulfonyl-benzothiazol-2-ylidene)thiophene-2-carboxamide

CAS: 683237-87-8
Molecular Formula C14H11BrN2O3S3
Molecular Weight 429.91153 g/mol
LogP 3.2084
Topological Polar Surface Area 68.5 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 429.91153
Monoisotopic Mass 429.91153
Heavy Atoms 23
Complexity 1090.1133

Chemical Identifiers

CAS Number 683237-87-8
SMILES CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(S3)Br

Product Overview

AC1N3BH9 (CAS 683237-87-8), with molecular formula C14H11BrN2O3S3 and molecular weight 429.91153 g/mol. IUPAC: 5-bromo-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

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