propane-2-thiolate

C3H7S- — CID 23432608

IUPACpropane-2-thiolate
SMILESCC(C)[S-]
InChIInChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3/p-1
InChIKeyKJRCEJOSASVSRA-UHFFFAOYSA-M
MW75.16 g/mol
LogP0.94
Rot. Bonds

About propane-2-thiolate

propane-2-thiolate (PubChem CID 23432608) has the molecular formula C3H7S- and a molecular weight of 75.16 g/mol. Its IUPAC name is propane-2-thiolate.

Molecular Properties

Compound Namepropane-2-thiolate
PubChem CID23432608
Molecular FormulaC3H7S-
Molecular Weight75.16 g/mol
Exact Mass75.03
IUPAC Namepropane-2-thiolate
SMILESCC(C)[S-]
InChIInChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3/p-1
InChIKeyKJRCEJOSASVSRA-UHFFFAOYSA-M
XLogP0.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze propane-2-thiolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propyl mercaptan
CID 7848
2-Propanethiol
CID 6364
1-Propanethiol, sodium salt (1:1)
CID 4681725
Sodium 2-propanethiolate
CID 3470666
n-Butyl mercaptide
CID 193565
Propyl hydrodisulfide
CID 6428842
Propylthio radical
CID 138398
Isopropyl sulphenyl chloride
CID 11116012
Propyl sulfenyl chloride
CID 12535950
Thiopropoxide
CID 21633594
Propanethial
CID 138345
CH3CH2S
CID 519011

Frequently Asked Questions

What is the IUPAC name of propane-2-thiolate?
The IUPAC name of propane-2-thiolate (CID 23432608) is propane-2-thiolate.
What is the SMILES notation for propane-2-thiolate?
The canonical SMILES for propane-2-thiolate is CC(C)[S-].
What is the InChIKey of propane-2-thiolate?
The InChIKey is KJRCEJOSASVSRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3/p-1.
What are the key properties of propane-2-thiolate?
propane-2-thiolate has a molecular weight of 75.16 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane-2-thiolate is sourced from PubChem (CID 23432608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).