4-(phenylsulfanyl)-2H,3H,4H-1??-thieno[2,3-b]thiopyran-1,1-dione

4-(phenylsulfanyl)-2H,3H,4H-1??-thieno[2,3-b]thiopyran-1,1-dione

CAS: 478067-51-5

Formula: C13H12O2S3

SMILES: O=S1(=O)CCC(SC2=CC=CC=C2)C2=C1SC=C2

IUPAC: 4-(phenylsulfanyl)-2H,3H,4H-1??-thieno[2,3-b]thiopyran-1,1-dione

InChI: InChI=1/C13H12O2S3/c14-18(15)9-7-12(11-6-8-16-13(11)18)17-10-4-2-1-3-5-10/h1-6,8,12H,7,9H2

Composition: C (52.68%), H (4.08%), O (10.79%), S (32.45%)

Molar Mass: 296.42

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	295.999943148
Formal Charge	0
FSP3	0.23
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WBOPFGHZQCCSSV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.28
Topological Polar Surface Area	34.14
Polarizability	30.59
Ring Count	3
Rotatable Bond Count	2

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90%	<2 Days	478067-51-5		$51.35-$86.31$51.35$63.37$86.31