1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene

C16H15ClOS2 — CID 102382885

IUPAC1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene
SMILESCSc1ccc(/C=C(\Cl)S(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H15ClOS2/c1-12-3-9-15(10-4-12)20(18)16(17)11-13-5-7-14(19-2)8-6-13/h3-11H,1-2H3/b16-11+
InChIKeyWBXZSTMJENTLOP-LFIBNONCSA-N
MW322.88 g/mol
LogP5.06
Rot. Bonds4

About 1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene

1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene (PubChem CID 102382885) has the molecular formula C16H15ClOS2 and a molecular weight of 322.88 g/mol. Its IUPAC name is 1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene
PubChem CID102382885
Molecular FormulaC16H15ClOS2
Molecular Weight322.88 g/mol
Exact Mass322.03
IUPAC Name1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene
SMILESCSc1ccc(/C=C(\Cl)S(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H15ClOS2/c1-12-3-9-15(10-4-12)20(18)16(17)11-13-5-7-14(19-2)8-6-13/h3-11H,1-2H3/b16-11+
InChIKeyWBXZSTMJENTLOP-LFIBNONCSA-N
XLogP5.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.88
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-chloro-2-(4-methylphenyl)sulfinylethenyl]thiophene
CID 102532992
2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene
CID 11033348
(Z)-2-bromo-1-(4-methylphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 101427155
2-[(Z)-2-chloro-2-(4-methylphenyl)sulfinylethenyl]furan
CID 102382887
1-methyl-4-[1-(4-methylphenyl)sulfinyl-2-(4-nitrophenyl)ethenyl]sulfinylbenzene
CID 78064759
1-[(R)-[(E)-1-fluoro-2-(4-phenylphenyl)ethenyl]sulfinyl]-4-methylbenzene
CID 11914677
potassium;azanide;1-methyl-4-methylsulfanylbenzene
CID 164525020
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671
1-(2,2-difluoroethenyl)-4-methylsulfanylbenzene
CID 102110854
1-methylsulfanyl-4-(4-methylsulfinylphenyl)benzene
CID 85239919
1-[(1Z)-1-chloro-2-methylbuta-1,3-dienyl]sulfinyl-4-methylbenzene
CID 101380718
2-[(4-methylsulfanylphenyl)methylidene]butanal
CID 79331111

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene?
The IUPAC name of 1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene (CID 102382885) is 1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene.
What is the SMILES notation for 1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene?
The canonical SMILES for 1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene is CSc1ccc(/C=C(\Cl)S(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene?
The InChIKey is WBXZSTMJENTLOP-LFIBNONCSA-N. The full InChI is InChI=1S/C16H15ClOS2/c1-12-3-9-15(10-4-12)20(18)16(17)11-13-5-7-14(19-2)8-6-13/h3-11H,1-2H3/b16-11+.
What are the key properties of 1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene?
1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene has a molecular weight of 322.88 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-chloro-2-(4-methylsulfanylphenyl)ethenyl]sulfinyl-4-methylbenzene is sourced from PubChem (CID 102382885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).