prop-2-enylsulfanylmethanethioic S-acid

C4H6OS2 — CID 87246212

IUPACprop-2-enylsulfanylmethanethioic S-acid
SMILESC=CCSC(=O)S
InChIInChI=1S/C4H6OS2/c1-2-3-7-4(5)6/h2H,1,3H2,(H,5,6)
InChIKeyGLLAYHVUBKRGLT-UHFFFAOYSA-N
MW134.22 g/mol
LogP1.96
Rot. Bonds2

About prop-2-enylsulfanylmethanethioic S-acid

prop-2-enylsulfanylmethanethioic S-acid (PubChem CID 87246212) has the molecular formula C4H6OS2 and a molecular weight of 134.22 g/mol. Its IUPAC name is prop-2-enylsulfanylmethanethioic S-acid.

Molecular Properties

Compound Nameprop-2-enylsulfanylmethanethioic S-acid
PubChem CID87246212
Molecular FormulaC4H6OS2
Molecular Weight134.22 g/mol
Exact Mass133.99
IUPAC Nameprop-2-enylsulfanylmethanethioic S-acid
SMILESC=CCSC(=O)S
InChIInChI=1S/C4H6OS2/c1-2-3-7-4(5)6/h2H,1,3H2,(H,5,6)
InChIKeyGLLAYHVUBKRGLT-UHFFFAOYSA-N
XLogP1.96
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-prop-2-enyl 2-hydroxyethanethioate;silver
CID 88846601
2-prop-2-enylsulfanylprop-2-ene-1-thiol
CID 173025235
prop-2-enoxysulfanylmethanethioic S-acid
CID 173314581
3-prop-2-enylsulfanylprop-1-ene;urea
CID 174462951
S-prop-2-enyl furan-2-carbothioate
CID 20981613
2-methyl-2-prop-2-enylsulfanylpent-4-enethioic S-acid
CID 88789012
thiocyanatomethyl prop-2-enylsulfanylformate
CID 88788817
S-prop-2-enyl pyrazole-1-carbothioate
CID 123607947
but-1-ene;bis(carbamothioic S-acid)
CID 87966489
S-prop-2-enyl 2-aminobenzenecarbothioate
CID 88781587
N,N'-bis(prop-2-enyldisulfanyl)oxamide
CID 21150695
2-prop-2-enylpent-4-enethioic S-acid
CID 88624358

Frequently Asked Questions

What is the IUPAC name of prop-2-enylsulfanylmethanethioic S-acid?
The IUPAC name of prop-2-enylsulfanylmethanethioic S-acid (CID 87246212) is prop-2-enylsulfanylmethanethioic S-acid.
What is the SMILES notation for prop-2-enylsulfanylmethanethioic S-acid?
The canonical SMILES for prop-2-enylsulfanylmethanethioic S-acid is C=CCSC(=O)S.
What is the InChIKey of prop-2-enylsulfanylmethanethioic S-acid?
The InChIKey is GLLAYHVUBKRGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS2/c1-2-3-7-4(5)6/h2H,1,3H2,(H,5,6).
What are the key properties of prop-2-enylsulfanylmethanethioic S-acid?
prop-2-enylsulfanylmethanethioic S-acid has a molecular weight of 134.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enylsulfanylmethanethioic S-acid is sourced from PubChem (CID 87246212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).