1-Phenyltetrazole-5-thiol

Catalog Number	ACM86931
CAS	86-93-1
Structure
Synonyms	5-Mercapto-1-phenyltetrazole
IUPAC Name	1-Phenyl-2H-tetrazole-5-thione
Molecular Weight	178.22
Molecular Formula	C7H6N4S
Canonical SMILES	C1=CC=C(C=C1)N2C(=S)N=NN2
InChI	InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
InChI Key	GGZHVNZHFYCSEV-UHFFFAOYSA-N
Boiling Point	342 °C
Melting Point	145 °C
Purity	99%+
Appearance	Crystalline powder
Storage	Store at +15°C to +25 °C
Exact Mass	178.03131738
Hydrogen-Bond Acceptor Count	3
Hydrogen-Bond Donor Count	1
Monoisotopic Mass	178.03131738
Rotatable-Bond Count	1
Topological Polar Surface Area	72.1 Ų

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