2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane

C10H11ClOS — CID 2797369

IUPAC2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane
SMILESCC1(CSc2ccc(Cl)cc2)CO1
InChIInChI=1S/C10H11ClOS/c1-10(6-12-10)7-13-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChIKeySSQCJMSDNHVQCA-UHFFFAOYSA-N
MW214.72 g/mol
LogP3.22
Rot. Bonds3

About 2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane

2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane (PubChem CID 2797369) has the molecular formula C10H11ClOS and a molecular weight of 214.72 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane
PubChem CID2797369
Molecular FormulaC10H11ClOS
Molecular Weight214.72 g/mol
Exact Mass214.02
IUPAC Name2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane
SMILESCC1(CSc2ccc(Cl)cc2)CO1
InChIInChI=1S/C10H11ClOS/c1-10(6-12-10)7-13-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChIKeySSQCJMSDNHVQCA-UHFFFAOYSA-N
XLogP3.22
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-2-[(4-chlorophenyl)sulfanylmethyl]oxirane
CID 13295544
6-[(4-chlorophenyl)sulfanylmethyl]-6-methylspiro[1,2,4-trioxane-3,2'-adamantane]
CID 11710665
2-[(4-chlorophenyl)methylsulfanylmethyl]-2-methyloxirane
CID 114790539
1-chloro-4-ethylsulfanylbenzene
CID 5324154
2-[(2-bromophenyl)sulfanylmethyl]-2-methyloxirane
CID 66336590
1-[[1-(bromomethyl)cyclobutyl]methylsulfanyl]-4-chlorobenzene
CID 65007483
1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene
CID 12836424
1-(4-chlorophenyl)sulfanyl-N,N-dimethylmethanamine
CID 95562061
2-(4-ethylsulfanylphenyl)-2-methyloxirane
CID 82469117
1-[(4-chlorophenyl)methyl]-3-[(2-methyloxiran-2-yl)methyl]imidazolidine
CID 150068506
2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114623206
(5R)-5-[4-(4-chlorophenyl)phenyl]-3-methyl-3-(phenylsulfanylmethyl)oxolan-2-one
CID 153230998

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane?
The IUPAC name of 2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane (CID 2797369) is 2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane is CC1(CSc2ccc(Cl)cc2)CO1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane?
The InChIKey is SSQCJMSDNHVQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClOS/c1-10(6-12-10)7-13-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane?
2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane has a molecular weight of 214.72 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanylmethyl]-2-methyloxirane is sourced from PubChem (CID 2797369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).