5-[(4-bromophenyl)sulfanyl]-4-phenyl-1,2,3-thiadiazole

5-[(4-bromophenyl)sulfanyl]-4-phenyl-1,2,3-thiadiazole

CAS: 338398-33-7

Formula: C14H9BrN2S2

SMILES: BrC1=CC=C(SC2=C(N=NS2)C2=CC=CC=C2)C=C1

IUPAC: 5-[(4-bromophenyl)sulfanyl]-4-phenyl-1,2,3-thiadiazole

InChI: InChI=1S/C14H9BrN2S2/c15-11-6-8-12(9-7-11)18-14-13(16-17-19-14)10-4-2-1-3-5-10/h1-9H

Composition: C (48.15%), H (2.60%), Br (22.88%), N (8.02%), S (18.36%)

Molar Mass: 349.26

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	347.939054
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZWIKGBHVTPEFCL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	84.59
Topological Polar Surface Area	25.78
Polarizability	33.54
Ring Count	3
Rotatable Bond Count	3

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