(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol

C9H12OS — CID 11651207

IUPAC(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol
SMILESC=C[C@H](C)[C@@H](O)c1cccs1
InChIInChI=1S/C9H12OS/c1-3-7(2)9(10)8-5-4-6-11-8/h3-7,9-10H,1H2,2H3/t7-,9+/m0/s1
InChIKeyDLAPODKQMDCYGI-IONNQARKSA-N
MW168.26 g/mol
LogP2.60
Rot. Bonds3

About (1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol

(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol (PubChem CID 11651207) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is (1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol
PubChem CID11651207
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol
SMILESC=C[C@H](C)[C@@H](O)c1cccs1
InChIInChI=1S/C9H12OS/c1-3-7(2)9(10)8-5-4-6-11-8/h3-7,9-10H,1H2,2H3/t7-,9+/m0/s1
InChIKeyDLAPODKQMDCYGI-IONNQARKSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S)-2-methyl-1-thiophen-2-ylbut-3-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

1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(1R,2R)-3-methyl-1-thiophen-2-ylbutane-1,2-diol
CID 138661529
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
2-propan-2-ylthiophene
CID 178128598
3-methyl-1-thiophen-2-ylbut-2-en-1-ol
CID 79190233
3,3-dimethyl-1-thiophen-2-ylbutane-1,2-diol
CID 103457313
2-methylsulfonyl-1-thiophen-2-ylpropan-1-ol
CID 104521074
2-ethoxy-1-thiophen-2-ylpropan-1-ol
CID 64541559
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
1-thiophen-2-ylpropane-1,2,3-triol
CID 59769549
2-[(1R)-1-[(1R)-1-thiophen-2-ylprop-2-enyl]sulfanylprop-2-enyl]thiophene
CID 141305059
3-ethyl-1-thiophen-2-ylpentane-1,2-diol
CID 103459851

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol?
The IUPAC name of (1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol (CID 11651207) is (1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol.
What is the SMILES notation for (1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol?
The canonical SMILES for (1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol is C=C[C@H](C)[C@@H](O)c1cccs1.
What is the InChIKey of (1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol?
The InChIKey is DLAPODKQMDCYGI-IONNQARKSA-N. The full InChI is InChI=1S/C9H12OS/c1-3-7(2)9(10)8-5-4-6-11-8/h3-7,9-10H,1H2,2H3/t7-,9+/m0/s1.
What are the key properties of (1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol?
(1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol has a molecular weight of 168.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-methyl-1-thiophen-2-ylbut-3-en-1-ol is sourced from PubChem (CID 11651207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).