phenylsulfanylurea

C7H8N2OS — CID 22219022

IUPACphenylsulfanylurea
SMILESNC(=O)NSc1ccccc1
InChIInChI=1S/C7H8N2OS/c8-7(10)9-11-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKeyIGXIQOFPTUWHFL-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.36
Rot. Bonds2

About phenylsulfanylurea

phenylsulfanylurea (PubChem CID 22219022) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is phenylsulfanylurea.

Molecular Properties

Compound Namephenylsulfanylurea
PubChem CID22219022
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Namephenylsulfanylurea
SMILESNC(=O)NSc1ccccc1
InChIInChI=1S/C7H8N2OS/c8-7(10)9-11-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKeyIGXIQOFPTUWHFL-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-phenylsulfanylpropanamide
CID 134920552
phenylsulfanylbenzene;urea
CID 161199097
2,2,3,3,3-pentafluoro-N-phenylsulfanylpropanamide
CID 10468401
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;phenylsulfanylurea
CID 87830871
N'-(phenyldisulfanyl)oxamide
CID 19891866
(2S)-3-hydroxy-2-(phenylsulfanylamino)propanoic acid
CID 87691246
(N'-phenylsulfanylcarbamimidoyl)urea
CID 154427424
(3,5-dimethoxyphenyl)sulfanylurea
CID 174699067
(2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea
CID 174417066
(carbamoylamino) N-phenylcarbamodithioate
CID 174413845
(2-butylphenyl)sulfanylurea
CID 21150914
methyl N-(phenylsulfanylamino)carbamate
CID 21160766

Frequently Asked Questions

What is the IUPAC name of phenylsulfanylurea?
The IUPAC name of phenylsulfanylurea (CID 22219022) is phenylsulfanylurea.
What is the SMILES notation for phenylsulfanylurea?
The canonical SMILES for phenylsulfanylurea is NC(=O)NSc1ccccc1.
What is the InChIKey of phenylsulfanylurea?
The InChIKey is IGXIQOFPTUWHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c8-7(10)9-11-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10).
What are the key properties of phenylsulfanylurea?
phenylsulfanylurea has a molecular weight of 168.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylsulfanylurea is sourced from PubChem (CID 22219022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).