2-phenylsulfanylethanesulfonyl chloride

C8H9ClO2S2 — CID 13418706

IUPAC2-phenylsulfanylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCSc1ccccc1
InChIInChI=1S/C8H9ClO2S2/c9-13(10,11)7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyDYFWWQKXVNIITC-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.35
Rot. Bonds4

About 2-phenylsulfanylethanesulfonyl chloride

2-phenylsulfanylethanesulfonyl chloride (PubChem CID 13418706) has the molecular formula C8H9ClO2S2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-phenylsulfanylethanesulfonyl chloride.

Molecular Properties

Compound Name2-phenylsulfanylethanesulfonyl chloride
PubChem CID13418706
Molecular FormulaC8H9ClO2S2
Molecular Weight236.75 g/mol
Exact Mass235.97
IUPAC Name2-phenylsulfanylethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCSc1ccccc1
InChIInChI=1S/C8H9ClO2S2/c9-13(10,11)7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyDYFWWQKXVNIITC-UHFFFAOYSA-N
XLogP2.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)ethylsulfanylbenzene
CID 737205
N,N-dimethyl-2-phenylsulfanylethanesulfonamide
CID 175834515
lithium 2-phenylsulfanylethanethiolate
CID 102509871
2-[bis(2-phenylsulfanylethyl)phosphoryl]ethylsulfanylbenzene
CID 71359429
1,5-bis(phenylsulfanyl)pentan-3-one
CID 14244732
tris(2-phenylsulfanylethyl) phosphite
CID 154086310
5-fluoro-2-(2-phenylsulfanylethylsulfonyl)aniline
CID 81184875
N-(3-phenylsulfanylpropyl)methanesulfonamide
CID 47108530
1-phenyl-N-(2-phenylsulfanylethyl)methanesulfonamide
CID 33038800
[5-oxo-1-(3-phenylsulfanylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673657
3-(2-phenylsulfanylethylsulfanyl)phenol
CID 104590604
2-phenylsulfanylethyl hydrogen carbonate
CID 54537895

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylethanesulfonyl chloride?
The IUPAC name of 2-phenylsulfanylethanesulfonyl chloride (CID 13418706) is 2-phenylsulfanylethanesulfonyl chloride.
What is the SMILES notation for 2-phenylsulfanylethanesulfonyl chloride?
The canonical SMILES for 2-phenylsulfanylethanesulfonyl chloride is O=S(=O)(Cl)CCSc1ccccc1.
What is the InChIKey of 2-phenylsulfanylethanesulfonyl chloride?
The InChIKey is DYFWWQKXVNIITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2S2/c9-13(10,11)7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-phenylsulfanylethanesulfonyl chloride?
2-phenylsulfanylethanesulfonyl chloride has a molecular weight of 236.75 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylethanesulfonyl chloride is sourced from PubChem (CID 13418706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).