O-(2-methylsulfanylethyl) carbamothioate

C4H9NOS2 — CID 175193308

IUPACO-(2-methylsulfanylethyl) carbamothioate
SMILESCSCCOC(N)=S
InChIInChI=1S/C4H9NOS2/c1-8-3-2-6-4(5)7/h2-3H2,1H3,(H2,5,7)
InChIKeyOSZLTIUCLGXJMW-UHFFFAOYSA-N
MW151.26 g/mol
LogP0.61
Rot. Bonds3

About O-(2-methylsulfanylethyl) carbamothioate

O-(2-methylsulfanylethyl) carbamothioate (PubChem CID 175193308) has the molecular formula C4H9NOS2 and a molecular weight of 151.26 g/mol. Its IUPAC name is O-(2-methylsulfanylethyl) carbamothioate.

Molecular Properties

Compound NameO-(2-methylsulfanylethyl) carbamothioate
PubChem CID175193308
Molecular FormulaC4H9NOS2
Molecular Weight151.26 g/mol
Exact Mass151.01
IUPAC NameO-(2-methylsulfanylethyl) carbamothioate
SMILESCSCCOC(N)=S
InChIInChI=1S/C4H9NOS2/c1-8-3-2-6-4(5)7/h2-3H2,1H3,(H2,5,7)
InChIKeyOSZLTIUCLGXJMW-UHFFFAOYSA-N
XLogP0.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methylsulfanylpropanethioamide
CID 22932675
2-methylsulfanylethyl 2-hydroxyacetate
CID 127010328
2-methylsulfanylethyl N,N-dimethylcarbamate
CID 130699366
2-methylsulfanylethyl (2R)-2-hydroxypropanoate
CID 130750231
O-[2-(2-methylsulfanylethylsulfanyl)ethyl] 2-methylprop-2-enethioate
CID 139715938
lithium;bis(O-butyl carbamothioate);hydride
CID 175317253
magnesium;bis(O-butyl carbamothioate);hydride
CID 173071453
O-(4-methylpentyl) carbamothioate
CID 87854691
2-methylsulfanylethyl oxane-4-carboxylate
CID 78832546
O-(carbamothioyloxymethyl) carbamothioate
CID 88710252
2-(2-methylsulfanylethoxy)ethanamine
CID 57125874
O-methylsulfanyl carbamothioate
CID 175121464

Frequently Asked Questions

What is the IUPAC name of O-(2-methylsulfanylethyl) carbamothioate?
The IUPAC name of O-(2-methylsulfanylethyl) carbamothioate (CID 175193308) is O-(2-methylsulfanylethyl) carbamothioate.
What is the SMILES notation for O-(2-methylsulfanylethyl) carbamothioate?
The canonical SMILES for O-(2-methylsulfanylethyl) carbamothioate is CSCCOC(N)=S.
What is the InChIKey of O-(2-methylsulfanylethyl) carbamothioate?
The InChIKey is OSZLTIUCLGXJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS2/c1-8-3-2-6-4(5)7/h2-3H2,1H3,(H2,5,7).
What are the key properties of O-(2-methylsulfanylethyl) carbamothioate?
O-(2-methylsulfanylethyl) carbamothioate has a molecular weight of 151.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-methylsulfanylethyl) carbamothioate is sourced from PubChem (CID 175193308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).