prop-1-ene-1,1,2-trithiol

C3H6S3 — CID 88897307

IUPACprop-1-ene-1,1,2-trithiol
SMILESCC(S)=C(S)S
InChIInChI=1S/C3H6S3/c1-2(4)3(5)6/h4-6H,1H3
InChIKeyUOAOSADEADZRAZ-UHFFFAOYSA-N
MW138.28 g/mol
LogP1.96
Rot. Bonds

About prop-1-ene-1,1,2-trithiol

prop-1-ene-1,1,2-trithiol (PubChem CID 88897307) has the molecular formula C3H6S3 and a molecular weight of 138.28 g/mol. Its IUPAC name is prop-1-ene-1,1,2-trithiol.

Molecular Properties

Compound Nameprop-1-ene-1,1,2-trithiol
PubChem CID88897307
Molecular FormulaC3H6S3
Molecular Weight138.28 g/mol
Exact Mass137.96
IUPAC Nameprop-1-ene-1,1,2-trithiol
SMILESCC(S)=C(S)S
InChIInChI=1S/C3H6S3/c1-2(4)3(5)6/h4-6H,1H3
InChIKeyUOAOSADEADZRAZ-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.28
LogP ≤ 51.96
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-methylbut-2-ene-2-thiol
CID 19937202
ethanethioic S-acid;gadolinium
CID 159325834
(Z)-3,4-dimethylpent-2-ene-2-thiol
CID 176996545
(E)-1,2-diaminoprop-1-ene-1-thiol
CID 143171578
(2Z)-3,4-diaminopenta-2,4-diene-2-thiol
CID 147166745
acetamide;carbamothioic S-acid
CID 160740835
calcium;ethanethioic S-acid;hydride;sulfane
CID 174895169
sulfanol;yttrium
CID 173073332
carbamodithioic acid;N-hydroxyacetamide
CID 174762397
lutetium;sulfanol
CID 173193181
3,5-dioxohexanethioic S-acid
CID 54506348
(2Z,4Z)-3-fluorohexa-2,4-diene-2-thiol
CID 167239113

Frequently Asked Questions

What is the IUPAC name of prop-1-ene-1,1,2-trithiol?
The IUPAC name of prop-1-ene-1,1,2-trithiol (CID 88897307) is prop-1-ene-1,1,2-trithiol.
What is the SMILES notation for prop-1-ene-1,1,2-trithiol?
The canonical SMILES for prop-1-ene-1,1,2-trithiol is CC(S)=C(S)S.
What is the InChIKey of prop-1-ene-1,1,2-trithiol?
The InChIKey is UOAOSADEADZRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S3/c1-2(4)3(5)6/h4-6H,1H3.
What are the key properties of prop-1-ene-1,1,2-trithiol?
prop-1-ene-1,1,2-trithiol has a molecular weight of 138.28 g/mol, XLogP of 1.96, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene-1,1,2-trithiol is sourced from PubChem (CID 88897307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).