phenylurea;thiourea

C8H12N4OS — CID 160770333

IUPACphenylurea;thiourea
SMILESNC(=O)Nc1ccccc1.NC(N)=S
InChIInChI=1S/C7H8N2O.CH4N2S/c8-7(10)9-6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H3,8,9,10);(H4,2,3,4)
InChIKeyRZFQODZURXEAHM-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.37
Rot. Bonds1

About phenylurea;thiourea

phenylurea;thiourea (PubChem CID 160770333) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is phenylurea;thiourea.

Molecular Properties

Compound Namephenylurea;thiourea
PubChem CID160770333
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Namephenylurea;thiourea
SMILESNC(=O)Nc1ccccc1.NC(N)=S
InChIInChI=1S/C7H8N2O.CH4N2S/c8-7(10)9-6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H3,8,9,10);(H4,2,3,4)
InChIKeyRZFQODZURXEAHM-UHFFFAOYSA-N
XLogP0.37
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 44665432
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CID 33152104
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Frequently Asked Questions

What is the IUPAC name of phenylurea;thiourea?
The IUPAC name of phenylurea;thiourea (CID 160770333) is phenylurea;thiourea.
What is the SMILES notation for phenylurea;thiourea?
The canonical SMILES for phenylurea;thiourea is NC(=O)Nc1ccccc1.NC(N)=S.
What is the InChIKey of phenylurea;thiourea?
The InChIKey is RZFQODZURXEAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.CH4N2S/c8-7(10)9-6-4-2-1-3-5-6;2-1(3)4/h1-5H,(H3,8,9,10);(H4,2,3,4).
What are the key properties of phenylurea;thiourea?
phenylurea;thiourea has a molecular weight of 212.28 g/mol, XLogP of 0.37, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylurea;thiourea is sourced from PubChem (CID 160770333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).