1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride

C10H13ClO2S2 — CID 116866341

IUPAC1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride
SMILESCCSc1ccc(C(C)S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO2S2/c1-3-14-10-6-4-9(5-7-10)8(2)15(11,12)13/h4-8H,3H2,1-2H3
InChIKeyNEAMQSNXVPTBEC-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.43
Rot. Bonds4

About 1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride

1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride (PubChem CID 116866341) has the molecular formula C10H13ClO2S2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride
PubChem CID116866341
Molecular FormulaC10H13ClO2S2
Molecular Weight264.80 g/mol
Exact Mass264.00
IUPAC Name1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride
SMILESCCSc1ccc(C(C)S(=O)(=O)Cl)cc1
InChIInChI=1S/C10H13ClO2S2/c1-3-14-10-6-4-9(5-7-10)8(2)15(11,12)13/h4-8H,3H2,1-2H3
InChIKeyNEAMQSNXVPTBEC-UHFFFAOYSA-N
XLogP3.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)ethanesulfonyl chloride
CID 114999623
(4-ethylsulfanylphenyl)methanediamine
CID 116939199
1-chloro-4-ethylsulfanylbenzene
CID 5324154
N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine
CID 115769723
1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine
CID 106848542
amino-(4-ethylsulfanylphenyl)methanol
CID 116939661
1-(4-ethylsulfanylphenyl)-2-methylpropan-1-one
CID 82164906
1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene
CID 166847942
N-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-2-(methanesulfonamido)acetamide
CID 95296945
1-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
CID 116933128
2-(4-ethylsulfanylphenyl)sulfanylpropanoic acid
CID 116852440
2-(dimethylamino)-2-(4-ethylsulfanylphenyl)acetonitrile
CID 116909818

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride?
The IUPAC name of 1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride (CID 116866341) is 1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride is CCSc1ccc(C(C)S(=O)(=O)Cl)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride?
The InChIKey is NEAMQSNXVPTBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S2/c1-3-14-10-6-4-9(5-7-10)8(2)15(11,12)13/h4-8H,3H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride?
1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride has a molecular weight of 264.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 116866341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).