2-sulfanylideneethyl carbamate

C3H5NO2S — CID 19797136

IUPAC2-sulfanylideneethyl carbamate
SMILESNC(=O)OCC=S
InChIInChI=1S/C3H5NO2S/c4-3(5)6-1-2-7/h2H,1H2,(H2,4,5)
InChIKeyCJDRAWTVDNUTNE-UHFFFAOYSA-N
MW119.14 g/mol
LogP0.08
Rot. Bonds2

About 2-sulfanylideneethyl carbamate

2-sulfanylideneethyl carbamate (PubChem CID 19797136) has the molecular formula C3H5NO2S and a molecular weight of 119.14 g/mol. Its IUPAC name is 2-sulfanylideneethyl carbamate.

Molecular Properties

Compound Name2-sulfanylideneethyl carbamate
PubChem CID19797136
Molecular FormulaC3H5NO2S
Molecular Weight119.14 g/mol
Exact Mass119.00
IUPAC Name2-sulfanylideneethyl carbamate
SMILESNC(=O)OCC=S
InChIInChI=1S/C3H5NO2S/c4-3(5)6-1-2-7/h2H,1H2,(H2,4,5)
InChIKeyCJDRAWTVDNUTNE-UHFFFAOYSA-N
XLogP0.08
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-sulfanylideneethyl N-methylcarbamate
CID 22381418
carbamic acid;prop-2-enyl carbamate
CID 87466810
CID 88807568
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benzene;prop-2-enyl carbamate
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2-sulfanylideneethyl 2-methylidenebutanoate
CID 54364381
[(2E,4E)-hepta-2,4-dienyl] carbamate
CID 125475387
[(E)-4-carbamoyloxybut-2-enyl] N,N-ditert-butylcarbamate
CID 162350227
[(E)-3-methylsulfonylprop-2-enyl] carbamate
CID 175360018
6-carbamoyloxyhex-4-enyl carbamate
CID 174801317
CID 173421919
CID 173421919
ethyl carbamate
CID 158786750
ethyl carbamate
CID 161409576

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylideneethyl carbamate?
The IUPAC name of 2-sulfanylideneethyl carbamate (CID 19797136) is 2-sulfanylideneethyl carbamate.
What is the SMILES notation for 2-sulfanylideneethyl carbamate?
The canonical SMILES for 2-sulfanylideneethyl carbamate is NC(=O)OCC=S.
What is the InChIKey of 2-sulfanylideneethyl carbamate?
The InChIKey is CJDRAWTVDNUTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2S/c4-3(5)6-1-2-7/h2H,1H2,(H2,4,5).
What are the key properties of 2-sulfanylideneethyl carbamate?
2-sulfanylideneethyl carbamate has a molecular weight of 119.14 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylideneethyl carbamate is sourced from PubChem (CID 19797136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).