S-methyl N-sulfanylcarbamothioate

C2H5NOS2 — CID 154257163

IUPACS-methyl N-sulfanylcarbamothioate
SMILESCSC(=O)NS
InChIInChI=1S/C2H5NOS2/c1-6-2(4)3-5/h5H,1H3,(H,3,4)
InChIKeyUUDDWTZESYEGLA-UHFFFAOYSA-N
MW123.20 g/mol
LogP0.90
Rot. Bonds

About S-methyl N-sulfanylcarbamothioate

S-methyl N-sulfanylcarbamothioate (PubChem CID 154257163) has the molecular formula C2H5NOS2 and a molecular weight of 123.20 g/mol. Its IUPAC name is S-methyl N-sulfanylcarbamothioate.

Molecular Properties

Compound NameS-methyl N-sulfanylcarbamothioate
PubChem CID154257163
Molecular FormulaC2H5NOS2
Molecular Weight123.20 g/mol
Exact Mass122.98
IUPAC NameS-methyl N-sulfanylcarbamothioate
SMILESCSC(=O)NS
InChIInChI=1S/C2H5NOS2/c1-6-2(4)3-5/h5H,1H3,(H,3,4)
InChIKeyUUDDWTZESYEGLA-UHFFFAOYSA-N
XLogP0.90
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-methyl N-sulfanylcarbamothioate?
The IUPAC name of S-methyl N-sulfanylcarbamothioate (CID 154257163) is S-methyl N-sulfanylcarbamothioate.
What is the SMILES notation for S-methyl N-sulfanylcarbamothioate?
The canonical SMILES for S-methyl N-sulfanylcarbamothioate is CSC(=O)NS.
What is the InChIKey of S-methyl N-sulfanylcarbamothioate?
The InChIKey is UUDDWTZESYEGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NOS2/c1-6-2(4)3-5/h5H,1H3,(H,3,4).
What are the key properties of S-methyl N-sulfanylcarbamothioate?
S-methyl N-sulfanylcarbamothioate has a molecular weight of 123.20 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-methyl N-sulfanylcarbamothioate is sourced from PubChem (CID 154257163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).