CID 87134159

C3H8BiOS — CID 87134159

IUPAC—
SMILESCC(O)CS.[Bi]
InChIInChI=1S/C3H8OS.Bi/c1-3(4)2-5;/h3-5H,2H2,1H3;
InChIKeyZPBUXMCXNANBKA-UHFFFAOYSA-N
MW301.14 g/mol
LogP-0.08
Rot. Bonds1

About CID 87134159

CID 87134159 (PubChem CID 87134159) has the molecular formula C3H8BiOS and a molecular weight of 301.14 g/mol.

Molecular Properties

Compound NameCID 87134159
PubChem CID87134159
Molecular FormulaC3H8BiOS
Molecular Weight301.14 g/mol
Exact Mass301.01
IUPAC Name—
SMILESCC(O)CS.[Bi]
InChIInChI=1S/C3H8OS.Bi/c1-3(4)2-5;/h3-5H,2H2,1H3;
InChIKeyZPBUXMCXNANBKA-UHFFFAOYSA-N
XLogP-0.08
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-sulfanylpentan-2-ol
CID 54007604
(1R)-1-sulfanylethanol;2-sulfanylethanol
CID 158071036
propane-1,2-diol
CID 23506506
1-[bis(1-hydroxyethyl)amino]-2-sulfanylethanol
CID 57313457
(2R)-4,4-dimethylpentan-2-ol
CID 7014873
hydroxylamine;propan-2-ol
CID 22024851
2-methanidylpentane-2,4-diol;zirconium
CID 87932896
4,5-dimethyl-4,5-bis(sulfanyl)hexan-2-ol
CID 175208274
CID 160650971
CID 160650971
tris(pentane-2,4-diol);ruthenium
CID 5231187
aluminum butan-2-ol
CID 23623700
iron(2+);bis(pentane-2,4-diol)
CID 161218003

Frequently Asked Questions

What is the IUPAC name of CID 87134159?
The IUPAC name of CID 87134159 (CID 87134159) is not available.
What is the SMILES notation for CID 87134159?
The canonical SMILES for CID 87134159 is CC(O)CS.[Bi].
What is the InChIKey of CID 87134159?
The InChIKey is ZPBUXMCXNANBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8OS.Bi/c1-3(4)2-5;/h3-5H,2H2,1H3;.
What are the key properties of CID 87134159?
CID 87134159 has a molecular weight of 301.14 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87134159 is sourced from PubChem (CID 87134159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).