indigane;3-sulfanylpropane-1,2-diol

C3H11InO2S — CID 173044217

IUPACindigane;3-sulfanylpropane-1,2-diol
SMILESOCC(O)CS.[InH3]
InChIInChI=1S/C3H8O2S.In.3H/c4-1-3(5)2-6;;;;/h3-6H,1-2H2;;;;
InChIKeyWETFZLPZSJVKPF-UHFFFAOYSA-N
MW226.00 g/mol
LogP-1.91
Rot. Bonds2

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

indigane;3-sulfanylpropane-1,2-diol (PubChem CID 173044217) has the molecular formula C3H11InO2S and a molecular weight of 226.00 g/mol. Its IUPAC name is indigane;3-sulfanylpropane-1,2-diol.

Molecular Properties

Compound Nameindigane;3-sulfanylpropane-1,2-diol
PubChem CID173044217
Molecular FormulaC3H11InO2S
Molecular Weight226.00 g/mol
Exact Mass225.95
IUPAC Nameindigane;3-sulfanylpropane-1,2-diol
SMILESOCC(O)CS.[InH3]
InChIInChI=1S/C3H8O2S.In.3H/c4-1-3(5)2-6;;;;/h3-6H,1-2H2;;;;
InChIKeyWETFZLPZSJVKPF-UHFFFAOYSA-N
XLogP-1.91
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.00
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enoxyprop-1-ene;3-sulfanylpropane-1,2-diol
CID 174776061
butanoic acid;3-sulfanylpropane-1,2-diol
CID 122611449
methanethiol;propane-1,2,3-triol
CID 19920877
gold;propane-1,2,3-triol
CID 87239797
CID 160843248
CID 160843248
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
tris(octadecanoic acid);3-sulfanylpropane-1,2-diol
CID 158759954
iron(2+);oxygen(2-);propane-1,2,3-triol
CID 157365497
magnesium;propane-1,2,3-triol;dihydroxide
CID 159793120
potassium;hydride;propane-1,2,3-triol
CID 173019679
potassium;propane-1,2,3-triol;bromide
CID 160591555

Frequently Asked Questions

What is the IUPAC name of indigane;3-sulfanylpropane-1,2-diol?
The IUPAC name of indigane;3-sulfanylpropane-1,2-diol (CID 173044217) is indigane;3-sulfanylpropane-1,2-diol.
What is the SMILES notation for indigane;3-sulfanylpropane-1,2-diol?
The canonical SMILES for indigane;3-sulfanylpropane-1,2-diol is OCC(O)CS.[InH3].
What is the InChIKey of indigane;3-sulfanylpropane-1,2-diol?
The InChIKey is WETFZLPZSJVKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2S.In.3H/c4-1-3(5)2-6;;;;/h3-6H,1-2H2;;;;.
What are the key properties of indigane;3-sulfanylpropane-1,2-diol?
indigane;3-sulfanylpropane-1,2-diol has a molecular weight of 226.00 g/mol, XLogP of -1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for indigane;3-sulfanylpropane-1,2-diol is sourced from PubChem (CID 173044217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).