3-sulfanylpropane-1,2-diol;thiophene

C7H12O2S2 — CID 87967991

IUPAC3-sulfanylpropane-1,2-diol;thiophene
SMILESOCC(O)CS.c1ccsc1
InChIInChI=1S/C4H4S.C3H8O2S/c1-2-4-5-3-1;4-1-3(5)2-6/h1-4H;3-6H,1-2H2
InChIKeyGHEZCRLTZDKKSU-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.02
Rot. Bonds2

About 3-sulfanylpropane-1,2-diol;thiophene

3-sulfanylpropane-1,2-diol;thiophene (PubChem CID 87967991) has the molecular formula C7H12O2S2 and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-sulfanylpropane-1,2-diol;thiophene.

Molecular Properties

Compound Name3-sulfanylpropane-1,2-diol;thiophene
PubChem CID87967991
Molecular FormulaC7H12O2S2
Molecular Weight192.30 g/mol
Exact Mass192.03
IUPAC Name3-sulfanylpropane-1,2-diol;thiophene
SMILESOCC(O)CS.c1ccsc1
InChIInChI=1S/C4H4S.C3H8O2S/c1-2-4-5-3-1;4-1-3(5)2-6/h1-4H;3-6H,1-2H2
InChIKeyGHEZCRLTZDKKSU-UHFFFAOYSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-sulfanylpropane-1,2-diol;thiophene?
The IUPAC name of 3-sulfanylpropane-1,2-diol;thiophene (CID 87967991) is 3-sulfanylpropane-1,2-diol;thiophene.
What is the SMILES notation for 3-sulfanylpropane-1,2-diol;thiophene?
The canonical SMILES for 3-sulfanylpropane-1,2-diol;thiophene is OCC(O)CS.c1ccsc1.
What is the InChIKey of 3-sulfanylpropane-1,2-diol;thiophene?
The InChIKey is GHEZCRLTZDKKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.C3H8O2S/c1-2-4-5-3-1;4-1-3(5)2-6/h1-4H;3-6H,1-2H2.
What are the key properties of 3-sulfanylpropane-1,2-diol;thiophene?
3-sulfanylpropane-1,2-diol;thiophene has a molecular weight of 192.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylpropane-1,2-diol;thiophene is sourced from PubChem (CID 87967991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).