2-methylsulfanylcyclopropan-1-ol

C4H8OS — CID 54469383

IUPAC2-methylsulfanylcyclopropan-1-ol
SMILESCSC1CC1O
InChIInChI=1S/C4H8OS/c1-6-4-2-3(4)5/h3-5H,2H2,1H3
InChIKeyGSYZVNAOSCJYMN-UHFFFAOYSA-N
MW104.17 g/mol
LogP0.48
Rot. Bonds1

About 2-methylsulfanylcyclopropan-1-ol

2-methylsulfanylcyclopropan-1-ol (PubChem CID 54469383) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is 2-methylsulfanylcyclopropan-1-ol.

Molecular Properties

Compound Name2-methylsulfanylcyclopropan-1-ol
PubChem CID54469383
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Name2-methylsulfanylcyclopropan-1-ol
SMILESCSC1CC1O
InChIInChI=1S/C4H8OS/c1-6-4-2-3(4)5/h3-5H,2H2,1H3
InChIKeyGSYZVNAOSCJYMN-UHFFFAOYSA-N
XLogP0.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylcyclopropan-1-ol?
The IUPAC name of 2-methylsulfanylcyclopropan-1-ol (CID 54469383) is 2-methylsulfanylcyclopropan-1-ol.
What is the SMILES notation for 2-methylsulfanylcyclopropan-1-ol?
The canonical SMILES for 2-methylsulfanylcyclopropan-1-ol is CSC1CC1O.
What is the InChIKey of 2-methylsulfanylcyclopropan-1-ol?
The InChIKey is GSYZVNAOSCJYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OS/c1-6-4-2-3(4)5/h3-5H,2H2,1H3.
What are the key properties of 2-methylsulfanylcyclopropan-1-ol?
2-methylsulfanylcyclopropan-1-ol has a molecular weight of 104.17 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylcyclopropan-1-ol is sourced from PubChem (CID 54469383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).