4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

CAS: 95461-20-4

Formula: C9H9NS

SMILES: N#CC1=CSC2=C1CCCC2

IUPAC: 4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

InChI: InChI=1S/C9H9NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h6H,1-4H2

Composition: C (66.22%), H (5.56%), N (8.58%), S (19.64%)

Molar Mass: 163.24

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	163.045570468
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	FYOOHGLNAJIWQU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.31
Topological Polar Surface Area	23.79
Polarizability	17.29
Ring Count	2
Rotatable Bond Count	0

Suppliers

ChemBridge Corp.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<4 Days	95461-20-4		$80.50$80.50