1,3-thiazole-5-carbonitrile

1,3-thiazole-5-carbonitrile

CAS: 25742-12-5

Formula: C4H2N2S

SMILES: N#CC1=CN=CS1

IUPAC: 1,3-thiazole-5-carbonitrile

InChI: InChI=1S/C4H2N2S/c5-1-4-2-6-3-7-4/h2-3H

Composition: C (43.62%), H (1.83%), N (25.44%), S (29.11%)

Molar Mass: 110.13

Atom Count: 9

Heavy Atom Count: 7

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	109.993869246
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XWXPRCDFFCVMNT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	26.77
Topological Polar Surface Area	36.68
Polarizability	10.01
Ring Count	1
Rotatable Bond Count	0

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