(isothiocyanatomethyl)cyclohexane

(isothiocyanatomethyl)cyclohexane

CAS: 52395-66-1

Formula: C8H13NS

SMILES: S=C=NCC1CCCCC1

IUPAC: (isothiocyanatomethyl)cyclohexane

InChI: InChI=1S/C8H13NS/c10-7-9-6-8-4-2-1-3-5-8/h8H,1-6H2

Composition: C (61.89%), H (8.44%), N (9.02%), S (20.65%)

Molar Mass: 155.26

Atom Count: 23

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	155.076870597
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RYBJNWIQNLZNPE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.07
Topological Polar Surface Area	12.36
Polarizability	18.63
Ring Count	1
Rotatable Bond Count	2

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