5-amino-1,3-thiazole-2-carbonitrile

5-amino-1,3-thiazole-2-carbonitrile

CAS: 860182-74-7

Formula: C4H3N3S

SMILES: NC1=CN=C(S1)C#N

IUPAC: 5-amino-1,3-thiazole-2-carbonitrile

InChI: InChI=1S/C4H3N3S/c5-1-4-7-2-3(6)8-4/h2H,6H2

Composition: C (38.39%), H (2.42%), N (33.58%), S (25.62%)

Molar Mass: 125.15

Atom Count: 11

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	125.004768283
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OTMBYLBHYHUFLV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	30.33
Topological Polar Surface Area	62.7
Polarizability	11.17
Ring Count	1
Rotatable Bond Count	0

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