thiourea;urea

C2H8N4OS — CID 22007323

IUPACthiourea;urea
SMILESNC(N)=O.NC(N)=S
InChIInChI=1S/CH4N2O.CH4N2S/c2*2-1(3)4/h2*(H4,2,3,4)
InChIKeyLXUQDZITPQYMIR-UHFFFAOYSA-N
MW136.18 g/mol
LogP-1.79
Rot. Bonds

About thiourea;urea

thiourea;urea (PubChem CID 22007323) has the molecular formula C2H8N4OS and a molecular weight of 136.18 g/mol. Its IUPAC name is thiourea;urea.

Molecular Properties

Compound Namethiourea;urea
PubChem CID22007323
Molecular FormulaC2H8N4OS
Molecular Weight136.18 g/mol
Exact Mass136.04
IUPAC Namethiourea;urea
SMILESNC(N)=O.NC(N)=S
InChIInChI=1S/CH4N2O.CH4N2S/c2*2-1(3)4/h2*(H4,2,3,4)
InChIKeyLXUQDZITPQYMIR-UHFFFAOYSA-N
XLogP-1.79
TPSA121.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thiourea;urea?
The IUPAC name of thiourea;urea (CID 22007323) is thiourea;urea.
What is the SMILES notation for thiourea;urea?
The canonical SMILES for thiourea;urea is NC(N)=O.NC(N)=S.
What is the InChIKey of thiourea;urea?
The InChIKey is LXUQDZITPQYMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.CH4N2S/c2*2-1(3)4/h2*(H4,2,3,4).
What are the key properties of thiourea;urea?
thiourea;urea has a molecular weight of 136.18 g/mol, XLogP of -1.79, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiourea;urea is sourced from PubChem (CID 22007323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).