2-[(4-bromophenyl)sulfanyl]acetamide

2-[(4-bromophenyl)sulfanyl]acetamide

CAS: 30243-07-3

Formula: C8H8BrNOS

SMILES: NC(=O)CSC1=CC=C(Br)C=C1

IUPAC: 2-[(4-bromophenyl)sulfanyl]acetamide

InChI: InChI=1S/C8H8BrNOS/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H2,10,11)

Composition: C (39.04%), H (3.28%), Br (32.47%), N (5.69%), O (6.50%), S (13.03%)

Molar Mass: 246.12

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.950998
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	JANRZFAWSQOJTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.49
Topological Polar Surface Area	43.09
Polarizability	21.09
Ring Count	1
Rotatable Bond Count	3

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