3-(cyclopropylmethylsulfanyl)propan-1-ol

C7H14OS — CID 66114966

IUPAC3-(cyclopropylmethylsulfanyl)propan-1-ol
SMILESOCCCSCC1CC1
InChIInChI=1S/C7H14OS/c8-4-1-5-9-6-7-2-3-7/h7-8H,1-6H2
InChIKeyBZCCHOTWCHYIAE-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.51
Rot. Bonds5

About 3-(cyclopropylmethylsulfanyl)propan-1-ol

3-(cyclopropylmethylsulfanyl)propan-1-ol (PubChem CID 66114966) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 3-(cyclopropylmethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(cyclopropylmethylsulfanyl)propan-1-ol
PubChem CID66114966
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name3-(cyclopropylmethylsulfanyl)propan-1-ol
SMILESOCCCSCC1CC1
InChIInChI=1S/C7H14OS/c8-4-1-5-9-6-7-2-3-7/h7-8H,1-6H2
InChIKeyBZCCHOTWCHYIAE-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylsulfanyl)propan-1-ol?
The IUPAC name of 3-(cyclopropylmethylsulfanyl)propan-1-ol (CID 66114966) is 3-(cyclopropylmethylsulfanyl)propan-1-ol.
What is the SMILES notation for 3-(cyclopropylmethylsulfanyl)propan-1-ol?
The canonical SMILES for 3-(cyclopropylmethylsulfanyl)propan-1-ol is OCCCSCC1CC1.
What is the InChIKey of 3-(cyclopropylmethylsulfanyl)propan-1-ol?
The InChIKey is BZCCHOTWCHYIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c8-4-1-5-9-6-7-2-3-7/h7-8H,1-6H2.
What are the key properties of 3-(cyclopropylmethylsulfanyl)propan-1-ol?
3-(cyclopropylmethylsulfanyl)propan-1-ol has a molecular weight of 146.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylsulfanyl)propan-1-ol is sourced from PubChem (CID 66114966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).