5-(thiophen-2-ylmethyl)-1H-1,2,3,4-tetrazole

5-(thiophen-2-ylmethyl)-1H-1,2,3,4-tetrazole

CAS: 120855-12-1

Formula: C6H6N4S

SMILES: C(C1=CC=CS1)C1=NN=NN1

IUPAC: 5-[(thiophen-2-yl)methyl]-1H-1,2,3,4-tetrazole

InChI: InChI=1S/C6H6N4S/c1-2-5(11-3-1)4-6-7-9-10-8-6/h1-3H,4H2,(H,7,8,9,10)

Composition: C (43.36%), H (3.64%), N (33.71%), S (19.29%)

Molar Mass: 166.2

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	166.031317383
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BFCXMQOUSDALQE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.37
Topological Polar Surface Area	54.46
Polarizability	15.47
Ring Count	2
Rotatable Bond Count	2

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