propan-1-ol;sulfanide

C3H9OS- — CID 19710776

IUPACpropan-1-ol;sulfanide
SMILESCCCO.[SH-]
InChIInChI=1S/C3H8O.H2S/c1-2-3-4;/h4H,2-3H2,1H3;1H2/p-1
InChIKeyKBYRTNGERLPWCA-UHFFFAOYSA-M
MW93.17 g/mol
LogP0.12
Rot. Bonds1

About propan-1-ol;sulfanide

propan-1-ol;sulfanide (PubChem CID 19710776) has the molecular formula C3H9OS- and a molecular weight of 93.17 g/mol. Its IUPAC name is propan-1-ol;sulfanide.

Molecular Properties

Compound Namepropan-1-ol;sulfanide
PubChem CID19710776
Molecular FormulaC3H9OS-
Molecular Weight93.17 g/mol
Exact Mass93.04
IUPAC Namepropan-1-ol;sulfanide
SMILESCCCO.[SH-]
InChIInChI=1S/C3H8O.H2S/c1-2-3-4;/h4H,2-3H2,1H3;1H2/p-1
InChIKeyKBYRTNGERLPWCA-UHFFFAOYSA-M
XLogP0.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.17
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

propan-1-ol;hydroiodide
CID 126649388
phosphane;tris(propan-1-ol)
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bis(propan-1-ol);yttrium
CID 20652670
CID 6391766
CID 6391766
niobium;hexakis(propan-1-ol)
CID 142301963
nickel;propan-1-ol
CID 22476953
methanol;propan-1-ol;zinc
CID 150799125
tris(propan-1-ol);zirconium;chloride
CID 18944786
methane;bis(propan-1-ol);tungsten
CID 161195602
sodium;propan-1-ol;iodide
CID 174317067
tris(propan-1-ol);vanadium(2+);dichloride
CID 88503682
cobalt;propan-1-ol;hydrochloride
CID 87992345

Frequently Asked Questions

What is the IUPAC name of propan-1-ol;sulfanide?
The IUPAC name of propan-1-ol;sulfanide (CID 19710776) is propan-1-ol;sulfanide.
What is the SMILES notation for propan-1-ol;sulfanide?
The canonical SMILES for propan-1-ol;sulfanide is CCCO.[SH-].
What is the InChIKey of propan-1-ol;sulfanide?
The InChIKey is KBYRTNGERLPWCA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O.H2S/c1-2-3-4;/h4H,2-3H2,1H3;1H2/p-1.
What are the key properties of propan-1-ol;sulfanide?
propan-1-ol;sulfanide has a molecular weight of 93.17 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-ol;sulfanide is sourced from PubChem (CID 19710776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).