ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate

C6H10N2O4S — CID 12530393

IUPACethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate
SMILESCCOC(=O)N=S=NC(=O)OCC
InChIInChI=1S/C6H10N2O4S/c1-3-11-5(9)7-13-8-6(10)12-4-2/h3-4H2,1-2H3
InChIKeyGVUWKMIVQOWTDZ-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.75
Rot. Bonds2

About ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate

ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate (PubChem CID 12530393) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate
PubChem CID12530393
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Nameethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate
SMILESCCOC(=O)N=S=NC(=O)OCC
InChIInChI=1S/C6H10N2O4S/c1-3-11-5(9)7-13-8-6(10)12-4-2/h3-4H2,1-2H3
InChIKeyGVUWKMIVQOWTDZ-UHFFFAOYSA-N
XLogP1.75
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Diethyl azodicarboxylate
CID 5462977
Diethyl azodicarboxylate, (Z)-
CID 5354216
ethyl N-ethoxycarbonyliminocarbamate
CID 220568
methyl (NE)-N-ethoxycarbonyliminocarbamate
CID 13265970
ethyl N-(ethoxycarbonylamino)sulfanylcarbamate
CID 13554459
ethyl N-(imino-lambda4-sulfanylidene)carbamate
CID 19777031
methyl N-ethoxycarbonyliminocarbamate
CID 54509766
propyl N,N-bis(sulfanyl)carbamate
CID 57134701
ethyl N-[(ethoxycarbonylamino)disulfanyl]carbamate
CID 87966888
ethyl N-(ethoxycarbonylimino-lambda4-tellanylidene)carbamate
CID 88442250
Ethoxycarbonyl-methoxycarbonyl-sulfanylideneazanium
CID 88631537
ethyl N-ethoxycarbonyl-N-sulfanylcarbamate
CID 88818897

Frequently Asked Questions

What is the IUPAC name of ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate?
The IUPAC name of ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate (CID 12530393) is ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate.
What is the SMILES notation for ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate?
The canonical SMILES for ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate is CCOC(=O)N=S=NC(=O)OCC.
What is the InChIKey of ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate?
The InChIKey is GVUWKMIVQOWTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c1-3-11-5(9)7-13-8-6(10)12-4-2/h3-4H2,1-2H3.
What are the key properties of ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate?
ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate has a molecular weight of 206.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(ethoxycarbonylimino-lambda4-sulfanylidene)carbamate is sourced from PubChem (CID 12530393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).