ethenylsulfanylethene;hydrate

C4H8OS — CID 137369807

IUPACethenylsulfanylethene;hydrate
SMILESC=CSC=C.O
InChIInChI=1S/C4H6S.H2O/c1-3-5-4-2;/h3-4H,1-2H2;1H2
InChIKeyFUNJCVYCRNTKSD-UHFFFAOYSA-N
MW104.17 g/mol
LogP1.18
Rot. Bonds2

About ethenylsulfanylethene;hydrate

ethenylsulfanylethene;hydrate (PubChem CID 137369807) has the molecular formula C4H8OS and a molecular weight of 104.17 g/mol. Its IUPAC name is ethenylsulfanylethene;hydrate.

Molecular Properties

Compound Nameethenylsulfanylethene;hydrate
PubChem CID137369807
Molecular FormulaC4H8OS
Molecular Weight104.17 g/mol
Exact Mass104.03
IUPAC Nameethenylsulfanylethene;hydrate
SMILESC=CSC=C.O
InChIInChI=1S/C4H6S.H2O/c1-3-5-4-2;/h3-4H,1-2H2;1H2
InChIKeyFUNJCVYCRNTKSD-UHFFFAOYSA-N
XLogP1.18
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethenylsulfanylethene;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;ethenylsulfanylethene
CID 142048646
1-ethenylsulfanylbuta-1,3-diene
CID 86260156
(Z)-2-ethenylsulfanyl-N-iodoethenamine
CID 89126075
bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene
CID 21391618
(Z)-1-ethenylsulfanylbut-1-en-2-amine
CID 130329572
5-(ethenylsulfanylmethylidene)nonane
CID 139298116
chloroethene;hydrate
CID 21299017
bis(prop-1-ene);hydrate
CID 21257591
ethenyl N-(2-methylprop-2-enyl)methanimidothioate
CID 156738457
ethane;(1E,3Z,5Z)-1-ethenylsulfanyl-2-methylhepta-1,3,5-triene
CID 142271409
1,1-difluoroethene;ethenyl thiohypofluorite
CID 174972129
ethenylsulfanylmethanol
CID 71341626

Frequently Asked Questions

What is the IUPAC name of ethenylsulfanylethene;hydrate?
The IUPAC name of ethenylsulfanylethene;hydrate (CID 137369807) is ethenylsulfanylethene;hydrate.
What is the SMILES notation for ethenylsulfanylethene;hydrate?
The canonical SMILES for ethenylsulfanylethene;hydrate is C=CSC=C.O.
What is the InChIKey of ethenylsulfanylethene;hydrate?
The InChIKey is FUNJCVYCRNTKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6S.H2O/c1-3-5-4-2;/h3-4H,1-2H2;1H2.
What are the key properties of ethenylsulfanylethene;hydrate?
ethenylsulfanylethene;hydrate has a molecular weight of 104.17 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylsulfanylethene;hydrate is sourced from PubChem (CID 137369807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).