2-methyl-1-methylsulfanylprop-2-en-1-ol

C5H10OS — CID 21014894

IUPAC2-methyl-1-methylsulfanylprop-2-en-1-ol
SMILESC=C(C)C(O)SC
InChIInChI=1S/C5H10OS/c1-4(2)5(6)7-3/h5-6H,1H2,2-3H3
InChIKeyKLYGMUYTFJLLAS-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.24
Rot. Bonds2

About 2-methyl-1-methylsulfanylprop-2-en-1-ol

2-methyl-1-methylsulfanylprop-2-en-1-ol (PubChem CID 21014894) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanylprop-2-en-1-ol
PubChem CID21014894
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-methyl-1-methylsulfanylprop-2-en-1-ol
SMILESC=C(C)C(O)SC
InChIInChI=1S/C5H10OS/c1-4(2)5(6)7-3/h5-6H,1H2,2-3H3
InChIKeyKLYGMUYTFJLLAS-UHFFFAOYSA-N
XLogP1.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-1-methylsulfanylprop-2-en-1-ol 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

2-Buten-1-ol, 2-(methylthio)methyl-
CID 6435612
3-Methyl-4-(methylsulfanyl)but-2-en-1-ol
CID 155820369
(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
CID 10866481
2-Methylsulfanylprop-2-en-1-ol
CID 13331380
2-Propylsulfanylprop-2-en-1-ol
CID 13331382
(Z)-2,3-bis(methylsulfanyl)prop-2-en-1-ol
CID 12170649
2-Ethylsulfanylprop-2-en-1-ol
CID 13331381
2-Butan-2-ylsulfanylprop-2-en-1-ol
CID 13331385
(Z)-3-propylsulfanylprop-2-en-1-ol
CID 13331394
(Z)-3-butan-2-ylsulfanylprop-2-en-1-ol
CID 13331400
(Z)-3-butylsulfanylprop-2-en-1-ol
CID 15575902
(Z)-3-tert-butylsulfanylprop-2-en-1-ol
CID 15575904

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanylprop-2-en-1-ol?
The IUPAC name of 2-methyl-1-methylsulfanylprop-2-en-1-ol (CID 21014894) is 2-methyl-1-methylsulfanylprop-2-en-1-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanylprop-2-en-1-ol?
The canonical SMILES for 2-methyl-1-methylsulfanylprop-2-en-1-ol is C=C(C)C(O)SC.
What is the InChIKey of 2-methyl-1-methylsulfanylprop-2-en-1-ol?
The InChIKey is KLYGMUYTFJLLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-4(2)5(6)7-3/h5-6H,1H2,2-3H3.
What are the key properties of 2-methyl-1-methylsulfanylprop-2-en-1-ol?
2-methyl-1-methylsulfanylprop-2-en-1-ol has a molecular weight of 118.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 21014894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).