ethyl N-(benzoylimino-λ4-sulfanylidene)carbamate

C10H10N2O3S — CID 19777032

IUPACethyl N-(benzoylimino-λ4-sulfanylidene)carbamate
SMILESCCOC(=O)N=S=NC(=O)c1ccccc1
InChIInChI=1S/C10H10N2O3S/c1-2-15-10(14)12-16-11-9(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyWSCAVCVKAYULGG-UHFFFAOYSA-N
MW238.27 g/mol
LogP2.43
Rot. Bonds2

About ethyl N-(benzoylimino-λ4-sulfanylidene)carbamate

ethyl N-(benzoylimino-λ4-sulfanylidene)carbamate (PubChem CID 19777032) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is ethyl N-(benzoylimino-λ4-sulfanylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(benzoylimino-λ4-sulfanylidene)carbamate
PubChem CID19777032
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Nameethyl N-(benzoylimino-λ4-sulfanylidene)carbamate
SMILESCCOC(=O)N=S=NC(=O)c1ccccc1
InChIInChI=1S/C10H10N2O3S/c1-2-15-10(14)12-16-11-9(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyWSCAVCVKAYULGG-UHFFFAOYSA-N
XLogP2.43
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(benzoylimino-λ4-sulfanylidene)carbamate?
The IUPAC name of ethyl N-(benzoylimino-λ4-sulfanylidene)carbamate (CID 19777032) is ethyl N-(benzoylimino-λ4-sulfanylidene)carbamate.
What is the SMILES notation for ethyl N-(benzoylimino-λ4-sulfanylidene)carbamate?
The canonical SMILES for ethyl N-(benzoylimino-λ4-sulfanylidene)carbamate is CCOC(=O)N=S=NC(=O)c1ccccc1.
What is the InChIKey of ethyl N-(benzoylimino-λ4-sulfanylidene)carbamate?
The InChIKey is WSCAVCVKAYULGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-2-15-10(14)12-16-11-9(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl N-(benzoylimino-λ4-sulfanylidene)carbamate?
ethyl N-(benzoylimino-λ4-sulfanylidene)carbamate has a molecular weight of 238.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(benzoylimino-λ4-sulfanylidene)carbamate is sourced from PubChem (CID 19777032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).