ethyl N-(methylcarbamothioyl)carbamate

C5H10N2O2S — CID 45032345

IUPACethyl N-(methylcarbamothioyl)carbamate
SMILESCCOC(=O)NC(=S)NC
InChIInChI=1S/C5H10N2O2S/c1-3-9-5(8)7-4(10)6-2/h3H2,1-2H3,(H2,6,7,8,10)
InChIKeyZVSZDIQLSVMMBI-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.24
Rot. Bonds1

About ethyl N-(methylcarbamothioyl)carbamate

ethyl N-(methylcarbamothioyl)carbamate (PubChem CID 45032345) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is ethyl N-(methylcarbamothioyl)carbamate.

Molecular Properties

Compound Nameethyl N-(methylcarbamothioyl)carbamate
PubChem CID45032345
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Nameethyl N-(methylcarbamothioyl)carbamate
SMILESCCOC(=O)NC(=S)NC
InChIInChI=1S/C5H10N2O2S/c1-3-9-5(8)7-4(10)6-2/h3H2,1-2H3,(H2,6,7,8,10)
InChIKeyZVSZDIQLSVMMBI-UHFFFAOYSA-N
XLogP0.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-pentanethioylcarbamate
CID 12517286
ethyl N-[[(2,2,2-trifluoroacetyl)amino]carbamothioyl]carbamate
CID 117062162
ethyl N-methylcarbamate;formaldehyde
CID 160650405
cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753
ethyl N-(methylcarbamoylamino)carbamate
CID 568737
N-ethoxycarbonylcarbamothioate
CID 19787554
ethyl N-(2-methylpropoxycarbothioyl)carbamate
CID 3034440
ethyl N-[1-cyano-2,2-bis(methylamino)ethenyl]carbamate
CID 2829864
ethyl N-[(4-propan-2-ylphenyl)carbamothioyl]carbamate
CID 86625912
ethyl N-[(4-bromophenyl)methylcarbamothioyl]carbamate
CID 71758606
ethyl N-[(4-ethyl-2-methyl-1,3-dihydropyrazol-5-yl)carbamothioyl]carbamate
CID 145163931
ethyl N-hydroxycarbamate
CID 11510

Frequently Asked Questions

What is the IUPAC name of ethyl N-(methylcarbamothioyl)carbamate?
The IUPAC name of ethyl N-(methylcarbamothioyl)carbamate (CID 45032345) is ethyl N-(methylcarbamothioyl)carbamate.
What is the SMILES notation for ethyl N-(methylcarbamothioyl)carbamate?
The canonical SMILES for ethyl N-(methylcarbamothioyl)carbamate is CCOC(=O)NC(=S)NC.
What is the InChIKey of ethyl N-(methylcarbamothioyl)carbamate?
The InChIKey is ZVSZDIQLSVMMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-3-9-5(8)7-4(10)6-2/h3H2,1-2H3,(H2,6,7,8,10).
What are the key properties of ethyl N-(methylcarbamothioyl)carbamate?
ethyl N-(methylcarbamothioyl)carbamate has a molecular weight of 162.21 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(methylcarbamothioyl)carbamate is sourced from PubChem (CID 45032345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).