CID 59431999

C5H8S — CID 59431999

IUPAC—
SMILES[CH]/C(C)=C/CS
InChIInChI=1S/C5H8S/c1-5(2)3-4-6/h1,3,6H,4H2,2H3/b5-3-
InChIKeyCGDVCWIYULWCLS-HYXAFXHYSA-N
MW100.19 g/mol
LogP1.57
Rot. Bonds1

About CID 59431999

CID 59431999 (PubChem CID 59431999) has the molecular formula C5H8S and a molecular weight of 100.19 g/mol.

Molecular Properties

Compound NameCID 59431999
PubChem CID59431999
Molecular FormulaC5H8S
Molecular Weight100.19 g/mol
Exact Mass100.03
IUPAC Name—
SMILES[CH]/C(C)=C/CS
InChIInChI=1S/C5H8S/c1-5(2)3-4-6/h1,3,6H,4H2,2H3/b5-3-
InChIKeyCGDVCWIYULWCLS-HYXAFXHYSA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 59431999 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

3,3-dichloroprop-2-ene-1-thiol
CID 19843654
CID 58960426
CID 58960426
4-(4-ethynylphenyl)-3-methylbut-2-ene-1-thiol
CID 173199653
CID 59464759
CID 59464759
CID 59967782
CID 59967782
CID 59967777
CID 59967777
5-methylhex-4-ene-1-thiol
CID 123779789
2-(3-methylbut-2-en-2-ylimino)ethanethiol
CID 155484552
CID 58276112
CID 58276112
(Z)-4-aminobut-2-ene-2-thiol
CID 143658490
3,3-diphenylprop-2-ene-1-thiol
CID 87371964
methyl(3-methylbut-2-enyl)azanide;yttrium(3+)
CID 20767491

Frequently Asked Questions

What is the IUPAC name of CID 59431999?
The IUPAC name of CID 59431999 (CID 59431999) is not available.
What is the SMILES notation for CID 59431999?
The canonical SMILES for CID 59431999 is [CH]/C(C)=C/CS.
What is the InChIKey of CID 59431999?
The InChIKey is CGDVCWIYULWCLS-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H8S/c1-5(2)3-4-6/h1,3,6H,4H2,2H3/b5-3-.
What are the key properties of CID 59431999?
CID 59431999 has a molecular weight of 100.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59431999 is sourced from PubChem (CID 59431999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).