ethylsulfanyl N-carbamoylcarbamate

C4H8N2O3S — CID 87478497

IUPACethylsulfanyl N-carbamoylcarbamate
SMILESCCSOC(=O)NC(N)=O
InChIInChI=1S/C4H8N2O3S/c1-2-10-9-4(8)6-3(5)7/h2H2,1H3,(H3,5,6,7,8)
InChIKeyJNQBEFCFNVOWSQ-UHFFFAOYSA-N
MW164.19 g/mol
LogP0.46
Rot. Bonds2

About ethylsulfanyl N-carbamoylcarbamate

ethylsulfanyl N-carbamoylcarbamate (PubChem CID 87478497) has the molecular formula C4H8N2O3S and a molecular weight of 164.19 g/mol. Its IUPAC name is ethylsulfanyl N-carbamoylcarbamate.

Molecular Properties

Compound Nameethylsulfanyl N-carbamoylcarbamate
PubChem CID87478497
Molecular FormulaC4H8N2O3S
Molecular Weight164.19 g/mol
Exact Mass164.03
IUPAC Nameethylsulfanyl N-carbamoylcarbamate
SMILESCCSOC(=O)NC(N)=O
InChIInChI=1S/C4H8N2O3S/c1-2-10-9-4(8)6-3(5)7/h2H2,1H3,(H3,5,6,7,8)
InChIKeyJNQBEFCFNVOWSQ-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(carbamoylcarbamoyloxymethyl)-2-ethylbutyl] N-carbamoylcarbamate
CID 121223659
potassium ethylsulfanyl carbonate
CID 23686326
(carbamoylamino) N-carbamoylcarbamate
CID 57474139
3-methylbutyl N-carbamoylcarbamate
CID 3027873
ethylsulfanyl 2,2,2-trifluoroacetate
CID 14978961
O-ethyl N-carbamoylcarbamothioate
CID 54333945
carbamoylurea;propane-1,1-diol
CID 174530984
N-carbamoyl-2-ethyl-2-methoxybutanamide
CID 23273727
but-1-ene;carbamoylurea
CID 174833277
N-carbamoyl-2-methylpropanamide
CID 541584
propyl N-carbamoylcarbamodithioate
CID 174741188
(carbamoyloxydisulfanyl) N-ethylcarbamate
CID 88639893

Frequently Asked Questions

What is the IUPAC name of ethylsulfanyl N-carbamoylcarbamate?
The IUPAC name of ethylsulfanyl N-carbamoylcarbamate (CID 87478497) is ethylsulfanyl N-carbamoylcarbamate.
What is the SMILES notation for ethylsulfanyl N-carbamoylcarbamate?
The canonical SMILES for ethylsulfanyl N-carbamoylcarbamate is CCSOC(=O)NC(N)=O.
What is the InChIKey of ethylsulfanyl N-carbamoylcarbamate?
The InChIKey is JNQBEFCFNVOWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3S/c1-2-10-9-4(8)6-3(5)7/h2H2,1H3,(H3,5,6,7,8).
What are the key properties of ethylsulfanyl N-carbamoylcarbamate?
ethylsulfanyl N-carbamoylcarbamate has a molecular weight of 164.19 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanyl N-carbamoylcarbamate is sourced from PubChem (CID 87478497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).