1-thiophen-3-ylbutane-2,3-diol

C8H12O2S — CID 103452838

IUPAC1-thiophen-3-ylbutane-2,3-diol
SMILESCC(O)C(O)Cc1ccsc1
InChIInChI=1S/C8H12O2S/c1-6(9)8(10)4-7-2-3-11-5-7/h2-3,5-6,8-10H,4H2,1H3
InChIKeyQOUQUSDBKPXCCT-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.03
Rot. Bonds3

About 1-thiophen-3-ylbutane-2,3-diol

1-thiophen-3-ylbutane-2,3-diol (PubChem CID 103452838) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-thiophen-3-ylbutane-2,3-diol.

Molecular Properties

Compound Name1-thiophen-3-ylbutane-2,3-diol
PubChem CID103452838
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name1-thiophen-3-ylbutane-2,3-diol
SMILESCC(O)C(O)Cc1ccsc1
InChIInChI=1S/C8H12O2S/c1-6(9)8(10)4-7-2-3-11-5-7/h2-3,5-6,8-10H,4H2,1H3
InChIKeyQOUQUSDBKPXCCT-UHFFFAOYSA-N
XLogP1.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
4-methyl-1-thiophen-3-ylpentane-2,3-diol
CID 103456677
4-methyl-5-thiophen-3-ylpentan-2-ol
CID 64719896
3-(2-fluoropropyl)thiophene
CID 74766003
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
3-(2-ethylbutyl)thiophene
CID 89133993
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
CID 66162635

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylbutane-2,3-diol?
The IUPAC name of 1-thiophen-3-ylbutane-2,3-diol (CID 103452838) is 1-thiophen-3-ylbutane-2,3-diol.
What is the SMILES notation for 1-thiophen-3-ylbutane-2,3-diol?
The canonical SMILES for 1-thiophen-3-ylbutane-2,3-diol is CC(O)C(O)Cc1ccsc1.
What is the InChIKey of 1-thiophen-3-ylbutane-2,3-diol?
The InChIKey is QOUQUSDBKPXCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-6(9)8(10)4-7-2-3-11-5-7/h2-3,5-6,8-10H,4H2,1H3.
What are the key properties of 1-thiophen-3-ylbutane-2,3-diol?
1-thiophen-3-ylbutane-2,3-diol has a molecular weight of 172.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylbutane-2,3-diol is sourced from PubChem (CID 103452838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).