(E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride

C9H9ClO2S2 — CID 55280423

IUPAC(E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride
SMILESCSc1ccc(/C=C/S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H9ClO2S2/c1-13-9-4-2-8(3-5-9)6-7-14(10,11)12/h2-7H,1H3/b7-6+
InChIKeyHDOHUCSVKOJLMI-VOTSOKGWSA-N
MW248.76 g/mol
LogP2.95
Rot. Bonds3

About (E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride

(E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride (PubChem CID 55280423) has the molecular formula C9H9ClO2S2 and a molecular weight of 248.76 g/mol. Its IUPAC name is (E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride.

Molecular Properties

Compound Name(E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride
PubChem CID55280423
Molecular FormulaC9H9ClO2S2
Molecular Weight248.76 g/mol
Exact Mass247.97
IUPAC Name(E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride
SMILESCSc1ccc(/C=C/S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H9ClO2S2/c1-13-9-4-2-8(3-5-9)6-7-14(10,11)12/h2-7H,1H3/b7-6+
InChIKeyHDOHUCSVKOJLMI-VOTSOKGWSA-N
XLogP2.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfanyl-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 12652959
(E)-2-(4-acetamidophenyl)ethenesulfonyl chloride
CID 23469627
CID 145489574
CID 145489574
1,3-difluoro-5-[2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 54419898
4-(4-methylsulfanylphenyl)but-3-en-2-one
CID 54442603
1-(4-chlorophenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 625655
CID 141437323
CID 141437323
1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene
CID 14929190
2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide
CID 161252073
(E)-1,3-bis(4-methylsulfanylphenyl)prop-2-en-1-one
CID 5378556
2-deuterio-4-methylsulfanylbenzaldehyde
CID 163207681
(E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide
CID 90481144

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride?
The IUPAC name of (E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride (CID 55280423) is (E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride.
What is the SMILES notation for (E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride?
The canonical SMILES for (E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride is CSc1ccc(/C=C/S(=O)(=O)Cl)cc1.
What is the InChIKey of (E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride?
The InChIKey is HDOHUCSVKOJLMI-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H9ClO2S2/c1-13-9-4-2-8(3-5-9)6-7-14(10,11)12/h2-7H,1H3/b7-6+.
What are the key properties of (E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride?
(E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride has a molecular weight of 248.76 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylsulfanylphenyl)ethenesulfonyl chloride is sourced from PubChem (CID 55280423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).