cyclopropylmethanethiol

C4H8S — CID 4713208

IUPACcyclopropylmethanethiol
SMILESSCC1CC1
InChIInChI=1S/C4H8S/c5-3-4-1-2-4/h4-5H,1-3H2
InChIKeyJDMINEJTNOBFFD-UHFFFAOYSA-N
MW88.18 g/mol
LogP1.33
Rot. Bonds1

About cyclopropylmethanethiol

cyclopropylmethanethiol (PubChem CID 4713208) has the molecular formula C4H8S and a molecular weight of 88.18 g/mol. Its IUPAC name is cyclopropylmethanethiol.

Molecular Properties

Compound Namecyclopropylmethanethiol
PubChem CID4713208
Molecular FormulaC4H8S
Molecular Weight88.18 g/mol
Exact Mass88.03
IUPAC Namecyclopropylmethanethiol
SMILESSCC1CC1
InChIInChI=1S/C4H8S/c5-3-4-1-2-4/h4-5H,1-3H2
InChIKeyJDMINEJTNOBFFD-UHFFFAOYSA-N
XLogP1.33
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.18
LogP ≤ 51.33
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 cyclopropylmethanethiol?
The IUPAC name of cyclopropylmethanethiol (CID 4713208) is cyclopropylmethanethiol.
What is the SMILES notation for cyclopropylmethanethiol?
The canonical SMILES for cyclopropylmethanethiol is SCC1CC1.
What is the InChIKey of cyclopropylmethanethiol?
The InChIKey is JDMINEJTNOBFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S/c5-3-4-1-2-4/h4-5H,1-3H2.
What are the key properties of cyclopropylmethanethiol?
cyclopropylmethanethiol has a molecular weight of 88.18 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethanethiol is sourced from PubChem (CID 4713208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).