(2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane

C10H12O2S — CID 119082075

IUPAC(2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane
SMILESCOc1ccccc1SC[C@H]1CO1
InChIInChI=1S/C10H12O2S/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3/t8-/m1/s1
InChIKeyBKCYTBGUDFKRRX-MRVPVSSYSA-N
MW196.27 g/mol
LogP2.19
Rot. Bonds4

About (2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane

(2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane (PubChem CID 119082075) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is (2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane
PubChem CID119082075
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name(2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane
SMILESCOc1ccccc1SC[C@H]1CO1
InChIInChI=1S/C10H12O2S/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3/t8-/m1/s1
InChIKeyBKCYTBGUDFKRRX-MRVPVSSYSA-N
XLogP2.19
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[2-(oxiran-2-ylmethylsulfanyl)phenyl]sulfonylphenyl]sulfanylmethyl]oxirane
CID 89314032
1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene
CID 60593855
1-(1,1-dideuterio(113C)ethylsulfanyl)-2-methoxybenzene
CID 58500338
2-[1-(2-methoxyphenyl)ethoxymethyl]oxirane
CID 22382426
(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane
CID 97180222
1-(1-deuterio-1-protio(113C)ethyl)sulfanyl-2-methoxybenzene
CID 58500194
1-cyclopropyl-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64626316
1-(2-methoxyphenyl)-2-(2-methoxyphenyl)sulfanyl-N-methylethanamine
CID 64627721
1-(3-chloropropylsulfanyl)-2-methoxybenzene
CID 57163919
2-[[4-(oxiran-2-ylmethylsulfanyl)selenophen-3-yl]sulfanylmethyl]oxirane
CID 87888938
N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine
CID 64627121
1-(2,2-diethoxyethylsulfanyl)-2-methoxybenzene
CID 10106471

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane?
The IUPAC name of (2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane (CID 119082075) is (2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane.
What is the SMILES notation for (2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane?
The canonical SMILES for (2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane is COc1ccccc1SC[C@H]1CO1.
What is the InChIKey of (2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane?
The InChIKey is BKCYTBGUDFKRRX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-11-9-4-2-3-5-10(9)13-7-8-6-12-8/h2-5,8H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane?
(2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane has a molecular weight of 196.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methoxyphenyl)sulfanylmethyl]oxirane is sourced from PubChem (CID 119082075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).