O-methylsulfanyl carbamothioate

C2H5NOS2 — CID 175121464

IUPACO-methylsulfanyl carbamothioate
SMILESCSOC(N)=S
InChIInChI=1S/C2H5NOS2/c1-6-4-2(3)5/h1H3,(H2,3,5)
InChIKeyFOACXLRUVCJUHN-UHFFFAOYSA-N
MW123.20 g/mol
LogP0.52
Rot. Bonds1

About O-methylsulfanyl carbamothioate

O-methylsulfanyl carbamothioate (PubChem CID 175121464) has the molecular formula C2H5NOS2 and a molecular weight of 123.20 g/mol. Its IUPAC name is O-methylsulfanyl carbamothioate.

Molecular Properties

Compound NameO-methylsulfanyl carbamothioate
PubChem CID175121464
Molecular FormulaC2H5NOS2
Molecular Weight123.20 g/mol
Exact Mass122.98
IUPAC NameO-methylsulfanyl carbamothioate
SMILESCSOC(N)=S
InChIInChI=1S/C2H5NOS2/c1-6-4-2(3)5/h1H3,(H2,3,5)
InChIKeyFOACXLRUVCJUHN-UHFFFAOYSA-N
XLogP0.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iron;bis(O-methyl carbamothioate)
CID 87395326
methyl carbamodithioate;silver
CID 174849393
bismuthane;bis(O-methyl carbamothioate)
CID 172996022
azane;O-methyl carbamothioate
CID 162314519
O-(2-methylsulfanylethyl) carbamothioate
CID 175193308
methylsulfanyl carboniodidate
CID 131727376
2-methylsulfanyloxybut-2-ene
CID 57221897
O-(carbamothioyloxymethyl) carbamothioate
CID 88710252
[amino(methylsulfanyl)methylidene]azanium iodide
CID 14325100
O-(1-chloropropyl) carbamothioate
CID 175179302
barium(2+);hydride;thiourea;hydrate
CID 175350134
ethanethioamide;λ2-plumbane
CID 174888754

Frequently Asked Questions

What is the IUPAC name of O-methylsulfanyl carbamothioate?
The IUPAC name of O-methylsulfanyl carbamothioate (CID 175121464) is O-methylsulfanyl carbamothioate.
What is the SMILES notation for O-methylsulfanyl carbamothioate?
The canonical SMILES for O-methylsulfanyl carbamothioate is CSOC(N)=S.
What is the InChIKey of O-methylsulfanyl carbamothioate?
The InChIKey is FOACXLRUVCJUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NOS2/c1-6-4-2(3)5/h1H3,(H2,3,5).
What are the key properties of O-methylsulfanyl carbamothioate?
O-methylsulfanyl carbamothioate has a molecular weight of 123.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-methylsulfanyl carbamothioate is sourced from PubChem (CID 175121464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).