ethylideneurea;sulfurous acid

C3H8N2O4S — CID 174973219

IUPACethylideneurea;sulfurous acid
SMILESCC=NC(N)=O.O=S(O)O
InChIInChI=1S/C3H6N2O.H2O3S/c1-2-5-3(4)6;1-4(2)3/h2H,1H3,(H2,4,6);(H2,1,2,3)
InChIKeyXBKGBEMCIIOBQF-UHFFFAOYSA-N
MW168.17 g/mol
LogP-0.16
Rot. Bonds

About ethylideneurea;sulfurous acid

ethylideneurea;sulfurous acid (PubChem CID 174973219) has the molecular formula C3H8N2O4S and a molecular weight of 168.17 g/mol. Its IUPAC name is ethylideneurea;sulfurous acid.

Molecular Properties

Compound Nameethylideneurea;sulfurous acid
PubChem CID174973219
Molecular FormulaC3H8N2O4S
Molecular Weight168.17 g/mol
Exact Mass168.02
IUPAC Nameethylideneurea;sulfurous acid
SMILESCC=NC(N)=O.O=S(O)O
InChIInChI=1S/C3H6N2O.H2O3S/c1-2-5-3(4)6;1-4(2)3/h2H,1H3,(H2,4,6);(H2,1,2,3)
InChIKeyXBKGBEMCIIOBQF-UHFFFAOYSA-N
XLogP-0.16
TPSA112.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

ethylideneurea;N-methylprop-2-enamide
CID 159487096
2-oxopropylideneurea
CID 154176026
ethylideneurea;ethyl 2-methylprop-2-enoate
CID 175474375
(E)-[(2E)-2-carbamoyliminoethylidene]urea
CID 11286522
ethylideneurea;undec-10-enoic acid
CID 159342465
acetic acid;1,1-diamino-3-ethylideneurea
CID 175316946
N-ethylideneacetamide
CID 21338179
methyl N-carbamoylmethanimidate
CID 57288886
(Z)-2-(ethylideneamino)-3-(methylamino)prop-2-enamide
CID 130227471
(E)-2-oxoethylideneurea
CID 15859944
2-aminoethylideneurea
CID 123400317
[(E)-ethylideneamino] carbamate
CID 141143420

Frequently Asked Questions

What is the IUPAC name of ethylideneurea;sulfurous acid?
The IUPAC name of ethylideneurea;sulfurous acid (CID 174973219) is ethylideneurea;sulfurous acid.
What is the SMILES notation for ethylideneurea;sulfurous acid?
The canonical SMILES for ethylideneurea;sulfurous acid is CC=NC(N)=O.O=S(O)O.
What is the InChIKey of ethylideneurea;sulfurous acid?
The InChIKey is XBKGBEMCIIOBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O.H2O3S/c1-2-5-3(4)6;1-4(2)3/h2H,1H3,(H2,4,6);(H2,1,2,3).
What are the key properties of ethylideneurea;sulfurous acid?
ethylideneurea;sulfurous acid has a molecular weight of 168.17 g/mol, XLogP of -0.16, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylideneurea;sulfurous acid is sourced from PubChem (CID 174973219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).