1,2,4-oxadiazole-3-carbothioamide

1,2,4-oxadiazole-3-carbothioamide

CAS: 39512-80-6

Formula: C3H3N3OS

SMILES: NC(=S)C1=NOC=N1

IUPAC: 1,2,4-oxadiazole-3-carbothioamide

InChI: InChI=1S/C3H3N3OS/c4-2(8)3-5-1-7-6-3/h1H,(H2,4,8)

Composition: C (27.90%), H (2.34%), N (32.54%), O (12.39%), S (24.83%)

Molar Mass: 129.14

Atom Count: 11

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	128.999682903
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XSQHJTHMNXYPPY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.4
Topological Polar Surface Area	64.94
Polarizability	11.73
Ring Count	1
Rotatable Bond Count	1

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