6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-1-benzothiopyran-4-yl N-phenylcarbamate

6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-1-benzothiopyran-4-yl N-phenylcarbamate

CAS: 1005046-45-6

Formula: C17H18ClNO2S

SMILES: CC1CC(OC(=O)NC2=CC=CC=C2)C2C=C(Cl)C=CC2S1

IUPAC: 6-chloro-2-methyl-3,4,4a,8a-tetrahydro-2H-1-benzothiopyran-4-yl N-phenylcarbamate

InChI: InChI=1/C17H18ClNO2S/c1-11-9-15(14-10-12(18)7-8-16(14)22-11)21-17(20)19-13-5-3-2-4-6-13/h2-8,10-11,14-16H,9H2,1H3,(H,19,20)

Composition: C (60.80%), H (5.40%), Cl (10.56%), N (4.17%), O (9.53%), S (9.55%)

Molar Mass: 335.85

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	4
Exact Mass	335.0746777
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AVUMPMDHVMPXFL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.47
Topological Polar Surface Area	38.33
Polarizability	35.43
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	1005046-45-6		$51.35-$86.31$51.35$63.37$86.31