2-methylcyclopropane-1-thiol

C4H8S — CID 123630782

IUPAC2-methylcyclopropane-1-thiol
SMILESCC1CC1S
InChIInChI=1S/C4H8S/c1-3-2-4(3)5/h3-5H,2H2,1H3
InChIKeySBGHQQHJHAUBMU-UHFFFAOYSA-N
MW88.18 g/mol
LogP1.32
Rot. Bonds

About 2-methylcyclopropane-1-thiol

2-methylcyclopropane-1-thiol (PubChem CID 123630782) has the molecular formula C4H8S and a molecular weight of 88.18 g/mol. Its IUPAC name is 2-methylcyclopropane-1-thiol.

Molecular Properties

Compound Name2-methylcyclopropane-1-thiol
PubChem CID123630782
Molecular FormulaC4H8S
Molecular Weight88.18 g/mol
Exact Mass88.03
IUPAC Name2-methylcyclopropane-1-thiol
SMILESCC1CC1S
InChIInChI=1S/C4H8S/c1-3-2-4(3)5/h3-5H,2H2,1H3
InChIKeySBGHQQHJHAUBMU-UHFFFAOYSA-N
XLogP1.32
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.18
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylcyclopropane-1-thiol?
The IUPAC name of 2-methylcyclopropane-1-thiol (CID 123630782) is 2-methylcyclopropane-1-thiol.
What is the SMILES notation for 2-methylcyclopropane-1-thiol?
The canonical SMILES for 2-methylcyclopropane-1-thiol is CC1CC1S.
What is the InChIKey of 2-methylcyclopropane-1-thiol?
The InChIKey is SBGHQQHJHAUBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S/c1-3-2-4(3)5/h3-5H,2H2,1H3.
What are the key properties of 2-methylcyclopropane-1-thiol?
2-methylcyclopropane-1-thiol has a molecular weight of 88.18 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclopropane-1-thiol is sourced from PubChem (CID 123630782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).