1-hydroxypropan-2-one;thiophene

C7H10O2S — CID 67203307

IUPAC1-hydroxypropan-2-one;thiophene
SMILESCC(=O)CO.c1ccsc1
InChIInChI=1S/C4H4S.C3H6O2/c1-2-4-5-3-1;1-3(5)2-4/h1-4H;4H,2H2,1H3
InChIKeyVYFVRCDTPOKZES-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.32
Rot. Bonds1

About 1-hydroxypropan-2-one;thiophene

1-hydroxypropan-2-one;thiophene (PubChem CID 67203307) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-hydroxypropan-2-one;thiophene.

Molecular Properties

Compound Name1-hydroxypropan-2-one;thiophene
PubChem CID67203307
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name1-hydroxypropan-2-one;thiophene
SMILESCC(=O)CO.c1ccsc1
InChIInChI=1S/C4H4S.C3H6O2/c1-2-4-5-3-1;1-3(5)2-4/h1-4H;4H,2H2,1H3
InChIKeyVYFVRCDTPOKZES-UHFFFAOYSA-N
XLogP1.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-one;thiophene?
The IUPAC name of 1-hydroxypropan-2-one;thiophene (CID 67203307) is 1-hydroxypropan-2-one;thiophene.
What is the SMILES notation for 1-hydroxypropan-2-one;thiophene?
The canonical SMILES for 1-hydroxypropan-2-one;thiophene is CC(=O)CO.c1ccsc1.
What is the InChIKey of 1-hydroxypropan-2-one;thiophene?
The InChIKey is VYFVRCDTPOKZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.C3H6O2/c1-2-4-5-3-1;1-3(5)2-4/h1-4H;4H,2H2,1H3.
What are the key properties of 1-hydroxypropan-2-one;thiophene?
1-hydroxypropan-2-one;thiophene has a molecular weight of 158.22 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-one;thiophene is sourced from PubChem (CID 67203307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).