5-(5-bromothiophen-2-yl)-2H-1,2,3,4-tetrazole

5-(5-bromothiophen-2-yl)-2H-1,2,3,4-tetrazole

CAS: 211943-12-3

Formula: C5H3BrN4S

SMILES: BrC1=CC=C(S1)C1=NNN=N1

IUPAC: 5-(5-bromothiophen-2-yl)-2H-1,2,3,4-tetrazole

InChI: InChI=1S/C5H3BrN4S/c6-4-2-1-3(11-4)5-7-9-10-8-5/h1-2H,(H,7,8,9,10)

Composition: C (25.99%), H (1.31%), Br (34.58%), N (24.25%), S (13.87%)

Molar Mass: 231.07

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	229.92618
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GJHHXCMGAACACG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.09
Topological Polar Surface Area	54.46
Polarizability	17.43
Ring Count	2
Rotatable Bond Count	1

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