propane-1-thiol

C3H8S — CID 7848

IUPACpropane-1-thiol
SMILESCCCS
InChIInChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChIKeySUVIGLJNEAMWEG-UHFFFAOYSA-N
MW76.16 g/mol
LogP1.33
Rot. Bonds1

About propane-1-thiol

propane-1-thiol (PubChem CID 7848) has the molecular formula C3H8S and a molecular weight of 76.16 g/mol. Its IUPAC name is propane-1-thiol.

Molecular Properties

Compound Namepropane-1-thiol
PubChem CID7848
Molecular FormulaC3H8S
Molecular Weight76.16 g/mol
Exact Mass76.03
IUPAC Namepropane-1-thiol
SMILESCCCS
InChIInChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChIKeySUVIGLJNEAMWEG-UHFFFAOYSA-N
XLogP1.33
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.16
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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Related Compounds

Butanethiol
CID 8012
Ethanethiol
CID 6343
2-Butanethiol
CID 10560
2-Propanethiol
CID 6364
1,3-Propanedithiol
CID 8013
1-Pentanethiol
CID 8067
2,3-Butanedithiol
CID 548353
2,3-Dimercaptopropane
CID 61217
1,2-Butanedithiol
CID 61829
2-Pentanethiol
CID 62424
3-Pentanethiol
CID 69220
1,3-Butanedithiol
CID 520119

Frequently Asked Questions

What is the IUPAC name of propane-1-thiol?
The IUPAC name of propane-1-thiol (CID 7848) is propane-1-thiol.
What is the SMILES notation for propane-1-thiol?
The canonical SMILES for propane-1-thiol is CCCS.
What is the InChIKey of propane-1-thiol?
The InChIKey is SUVIGLJNEAMWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3.
What are the key properties of propane-1-thiol?
propane-1-thiol has a molecular weight of 76.16 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 propane-1-thiol is sourced from PubChem (CID 7848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).