4-(benzylsulfanyl)-7-chloro-2,3-dihydro-1,5-benzothiazepine

4-(benzylsulfanyl)-7-chloro-2,3-dihydro-1,5-benzothiazepine

CAS: 303987-55-5

Formula: C16H14ClNS2

SMILES: ClC1=CC2=C(SCCC(SCC3=CC=CC=C3)=N2)C=C1

IUPAC: 4-(benzylsulfanyl)-7-chloro-2,3-dihydro-1,5-benzothiazepine

InChI: InChI=1S/C16H14ClNS2/c17-13-6-7-15-14(10-13)18-16(8-9-19-15)20-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2

Composition: C (60.08%), H (4.41%), Cl (11.08%), N (4.38%), S (20.05%)

Molar Mass: 319.87

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	319.0256195
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	CGTYMUXCIOWXGT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	92.87
Topological Polar Surface Area	12.36
Polarizability	35.27
Ring Count	3
Rotatable Bond Count	3

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90%	<2 Days	303987-55-5		$51.35-$86.31$51.35$63.37$86.31