thiane-4-carbonitrile

thiane-4-carbonitrile

CAS: 195503-40-3

Formula: C6H9NS

SMILES: N#CC1CCSCC1

IUPAC: thiane-4-carbonitrile

InChI: InChI=1S/C6H9NS/c7-5-6-1-3-8-4-2-6/h6H,1-4H2

Composition: C (56.65%), H (7.13%), N (11.01%), S (25.20%)

Molar Mass: 127.21

Atom Count: 17

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	127.045570468
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DQKVZWAEWJUKAX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.35
Topological Polar Surface Area	23.79
Polarizability	13.95
Ring Count	1
Rotatable Bond Count	0

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