(2-methyl-5-nitrosophenyl)thiourea

C8H9N3OS — CID 88970729

IUPAC(2-methyl-5-nitrosophenyl)thiourea
SMILESCc1ccc(N=O)cc1NC(N)=S
InChIInChI=1S/C8H9N3OS/c1-5-2-3-6(11-12)4-7(5)10-8(9)13/h2-4H,1H3,(H3,9,10,13)
InChIKeyBNEQXTPIRJHZLA-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.05
Rot. Bonds2

About (2-methyl-5-nitrosophenyl)thiourea

(2-methyl-5-nitrosophenyl)thiourea (PubChem CID 88970729) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is (2-methyl-5-nitrosophenyl)thiourea.

Molecular Properties

Compound Name(2-methyl-5-nitrosophenyl)thiourea
PubChem CID88970729
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name(2-methyl-5-nitrosophenyl)thiourea
SMILESCc1ccc(N=O)cc1NC(N)=S
InChIInChI=1S/C8H9N3OS/c1-5-2-3-6(11-12)4-7(5)10-8(9)13/h2-4H,1H3,(H3,9,10,13)
InChIKeyBNEQXTPIRJHZLA-UHFFFAOYSA-N
XLogP2.05
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-5-sulfamoylphenyl)thiourea
CID 169356925
2-(3,4-dimethylphenoxy)-N-(2-methyl-5-nitrosophenyl)acetamide
CID 163767124
3-(carbamothioylamino)-4-methylbenzenesulfonic acid;naphthalene
CID 88814975
3-(carbamothioylamino)-4-methyl-N-propylbenzamide
CID 169356590
(2,4-dimethyl-5-methylsulfonylphenyl)thiourea
CID 169356929
N-[3-(carbamothioylamino)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169356345
(5-carbamothioyl-2-methylphenyl)urea
CID 62104099
[5-(1-adamantyl)-2-methylphenyl]thiourea
CID 169359271
(4-fluoro-2-methylphenyl)thiourea
CID 28888222
(2-bromo-5-methylphenyl)thiourea
CID 82757187
(2,4,6-trimethylphenyl)thiourea
CID 2731118
(2-methyl-4-nitrophenyl)thiourea
CID 3723044

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-nitrosophenyl)thiourea?
The IUPAC name of (2-methyl-5-nitrosophenyl)thiourea (CID 88970729) is (2-methyl-5-nitrosophenyl)thiourea.
What is the SMILES notation for (2-methyl-5-nitrosophenyl)thiourea?
The canonical SMILES for (2-methyl-5-nitrosophenyl)thiourea is Cc1ccc(N=O)cc1NC(N)=S.
What is the InChIKey of (2-methyl-5-nitrosophenyl)thiourea?
The InChIKey is BNEQXTPIRJHZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-5-2-3-6(11-12)4-7(5)10-8(9)13/h2-4H,1H3,(H3,9,10,13).
What are the key properties of (2-methyl-5-nitrosophenyl)thiourea?
(2-methyl-5-nitrosophenyl)thiourea has a molecular weight of 195.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-nitrosophenyl)thiourea is sourced from PubChem (CID 88970729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).