1-(disulfanyl)-1-phenylurea

C7H8N2OS2 — CID 88741574

IUPAC1-(disulfanyl)-1-phenylurea
SMILESNC(=O)N(SS)c1ccccc1
InChIInChI=1S/C7H8N2OS2/c8-7(10)9(12-11)6-4-2-1-3-5-6/h1-5,11H,(H2,8,10)
InChIKeyPUVYIMRPQMVVMG-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.06
Rot. Bonds2

About 1-(disulfanyl)-1-phenylurea

1-(disulfanyl)-1-phenylurea (PubChem CID 88741574) has the molecular formula C7H8N2OS2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-(disulfanyl)-1-phenylurea.

Molecular Properties

Compound Name1-(disulfanyl)-1-phenylurea
PubChem CID88741574
Molecular FormulaC7H8N2OS2
Molecular Weight200.29 g/mol
Exact Mass200.01
IUPAC Name1-(disulfanyl)-1-phenylurea
SMILESNC(=O)N(SS)c1ccccc1
InChIInChI=1S/C7H8N2OS2/c8-7(10)9(12-11)6-4-2-1-3-5-6/h1-5,11H,(H2,8,10)
InChIKeyPUVYIMRPQMVVMG-UHFFFAOYSA-N
XLogP2.06
TPSA46.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,1-diphenylurea
CID 174849888
1-methyl-1-(N-methylanilino)urea
CID 154254582
2-(N-carbamoylanilino)benzamide
CID 68726010
1-tert-butyl-1-phenylurea
CID 19102233
1-methylsulfonyl-1-phenylurea
CID 67458693
butane;1,1-diphenylurea
CID 70397101
1-phenyl-1-(4-phenylphenyl)urea
CID 90698606
1-(pentafluoro-λ6-sulfanyl)-1-phenylurea
CID 135203261
1-methoxy-1-phenylurea
CID 15620442
(2S)-2-(N-carbamoylanilino)propanoic acid
CID 54468578
mercury;(N-phenylanilino)urea
CID 175145706
(E)-but-2-enedioic acid;N,N-diphenylaniline
CID 139301590

Frequently Asked Questions

What is the IUPAC name of 1-(disulfanyl)-1-phenylurea?
The IUPAC name of 1-(disulfanyl)-1-phenylurea (CID 88741574) is 1-(disulfanyl)-1-phenylurea.
What is the SMILES notation for 1-(disulfanyl)-1-phenylurea?
The canonical SMILES for 1-(disulfanyl)-1-phenylurea is NC(=O)N(SS)c1ccccc1.
What is the InChIKey of 1-(disulfanyl)-1-phenylurea?
The InChIKey is PUVYIMRPQMVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS2/c8-7(10)9(12-11)6-4-2-1-3-5-6/h1-5,11H,(H2,8,10).
What are the key properties of 1-(disulfanyl)-1-phenylurea?
1-(disulfanyl)-1-phenylurea has a molecular weight of 200.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanyl)-1-phenylurea is sourced from PubChem (CID 88741574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).