[3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane

C11H13O2S2- — CID 19596199

IUPAC[3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane
SMILESCc1ccc(S(=O)([O-])=S)cc1CC1CC1
InChIInChI=1S/C11H14O2S2/c1-8-2-5-11(15(12,13)14)7-10(8)6-9-3-4-9/h2,5,7,9H,3-4,6H2,1H3,(H,12,13,14)/p-1
InChIKeyHGOCKJXDAZEJPD-UHFFFAOYSA-M
MW241.36 g/mol
LogP2.18
Rot. Bonds3

About [3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane

[3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane (PubChem CID 19596199) has the molecular formula C11H13O2S2- and a molecular weight of 241.36 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane
PubChem CID19596199
Molecular FormulaC11H13O2S2-
Molecular Weight241.36 g/mol
Exact Mass241.04
IUPAC Name[3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane
SMILESCc1ccc(S(=O)([O-])=S)cc1CC1CC1
InChIInChI=1S/C11H14O2S2/c1-8-2-5-11(15(12,13)14)7-10(8)6-9-3-4-9/h2,5,7,9H,3-4,6H2,1H3,(H,12,13,14)/p-1
InChIKeyHGOCKJXDAZEJPD-UHFFFAOYSA-M
XLogP2.18
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane?
The IUPAC name of [3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane (CID 19596199) is [3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane.
What is the SMILES notation for [3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane?
The canonical SMILES for [3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane is Cc1ccc(S(=O)([O-])=S)cc1CC1CC1.
What is the InChIKey of [3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane?
The InChIKey is HGOCKJXDAZEJPD-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14O2S2/c1-8-2-5-11(15(12,13)14)7-10(8)6-9-3-4-9/h2,5,7,9H,3-4,6H2,1H3,(H,12,13,14)/p-1.
What are the key properties of [3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane?
[3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane has a molecular weight of 241.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-lambda6-sulfane is sourced from PubChem (CID 19596199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).