formaldehyde;thiourea;urea

C4H12N4O3S — CID 159001736

IUPACformaldehyde;thiourea;urea
SMILESC=O.C=O.NC(N)=O.NC(N)=S
InChIInChI=1S/CH4N2O.CH4N2S.2CH2O/c2*2-1(3)4;2*1-2/h2*(H4,2,3,4);2*1H2
InChIKeyJRKMASVMRLPBNF-UHFFFAOYSA-N
MW196.23 g/mol
LogP-2.16
Rot. Bonds

About formaldehyde;thiourea;urea

formaldehyde;thiourea;urea (PubChem CID 159001736) has the molecular formula C4H12N4O3S and a molecular weight of 196.23 g/mol. Its IUPAC name is formaldehyde;thiourea;urea.

Molecular Properties

Compound Nameformaldehyde;thiourea;urea
PubChem CID159001736
Molecular FormulaC4H12N4O3S
Molecular Weight196.23 g/mol
Exact Mass196.06
IUPAC Nameformaldehyde;thiourea;urea
SMILESC=O.C=O.NC(N)=O.NC(N)=S
InChIInChI=1S/CH4N2O.CH4N2S.2CH2O/c2*2-1(3)4;2*1-2/h2*(H4,2,3,4);2*1H2
InChIKeyJRKMASVMRLPBNF-UHFFFAOYSA-N
XLogP-2.16
TPSA155.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

thiourea;urea
CID 22007323
formaldehyde;urea;hydrochloride
CID 158235523
boric acid;thiourea;urea
CID 87857793
diamino(113C)methanone
CID 636363
carbamic acid;formaldehyde
CID 173133375
ethenone;thiourea
CID 88518742
tantalum;urea
CID 159758921
ruthenium;urea
CID 161030938
thiourea;tetrahydrobromide
CID 173150762
barium(2+);urea
CID 22402807
CID 159010976
CID 159010976
CID 87675783
CID 87675783

Frequently Asked Questions

What is the IUPAC name of formaldehyde;thiourea;urea?
The IUPAC name of formaldehyde;thiourea;urea (CID 159001736) is formaldehyde;thiourea;urea.
What is the SMILES notation for formaldehyde;thiourea;urea?
The canonical SMILES for formaldehyde;thiourea;urea is C=O.C=O.NC(N)=O.NC(N)=S.
What is the InChIKey of formaldehyde;thiourea;urea?
The InChIKey is JRKMASVMRLPBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.CH4N2S.2CH2O/c2*2-1(3)4;2*1-2/h2*(H4,2,3,4);2*1H2.
What are the key properties of formaldehyde;thiourea;urea?
formaldehyde;thiourea;urea has a molecular weight of 196.23 g/mol, XLogP of -2.16, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;thiourea;urea is sourced from PubChem (CID 159001736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).