ethylsulfinothioylmethanethiol

C3H8S3 — CID 118518085

IUPACethylsulfinothioylmethanethiol
SMILESCCS(=S)CS
InChIInChI=1S/C3H8S3/c1-2-6(5)3-4/h4H,2-3H2,1H3
InChIKeyVTOUGMAUORVVDE-UHFFFAOYSA-N
MW140.30 g/mol
LogP0.97
Rot. Bonds2

About ethylsulfinothioylmethanethiol

ethylsulfinothioylmethanethiol (PubChem CID 118518085) has the molecular formula C3H8S3 and a molecular weight of 140.30 g/mol. Its IUPAC name is ethylsulfinothioylmethanethiol.

Molecular Properties

Compound Nameethylsulfinothioylmethanethiol
PubChem CID118518085
Molecular FormulaC3H8S3
Molecular Weight140.30 g/mol
Exact Mass139.98
IUPAC Nameethylsulfinothioylmethanethiol
SMILESCCS(=S)CS
InChIInChI=1S/C3H8S3/c1-2-6(5)3-4/h4H,2-3H2,1H3
InChIKeyVTOUGMAUORVVDE-UHFFFAOYSA-N
XLogP0.97
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylsulfinothioylmethanethiol?
The IUPAC name of ethylsulfinothioylmethanethiol (CID 118518085) is ethylsulfinothioylmethanethiol.
What is the SMILES notation for ethylsulfinothioylmethanethiol?
The canonical SMILES for ethylsulfinothioylmethanethiol is CCS(=S)CS.
What is the InChIKey of ethylsulfinothioylmethanethiol?
The InChIKey is VTOUGMAUORVVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S3/c1-2-6(5)3-4/h4H,2-3H2,1H3.
What are the key properties of ethylsulfinothioylmethanethiol?
ethylsulfinothioylmethanethiol has a molecular weight of 140.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfinothioylmethanethiol is sourced from PubChem (CID 118518085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).