Compound C12H9BrN2O2S

4-thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate

CAS: 14223-12-2

Molecular Formula	`C12H9BrN2O2S`
Molecular Weight	325.18 g/mol
LogP	3.0
Topological Polar Surface Area	87.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	323.95682
Heavy Atoms	18
Complexity	385.0

Chemical Identifiers

CAS Number	14223-12-2
SMILES	`C1=CC(=CC=C1NC(=O)OCC#CCSC#N)Br`
InChIKey	`FWKZTWZDAPGSQW-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H9BrN2O2S (CAS: 14223-12-2) is a chemical compound with molecular formula C12H9BrN2O2S and molecular weight 325.18 g/mol. Its IUPAC systematic name is 4-thiocyanatobut-2-ynyl N-(4-bromophenyl)carbamate. LogP 3.0 Topological Polar Surface Area 87.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 323.95682 Heavy Atoms 18 Complexity 385.0 InChI Key: FWKZTWZDAPGSQW-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1NC(=O)OCC#CCSC#N)Br.

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