(2-methyl-5-sulfamoylphenyl)thiourea

C8H11N3O2S2 — CID 169356925

IUPAC(2-methyl-5-sulfamoylphenyl)thiourea
SMILESCc1ccc(S(N)(=O)=O)cc1NC(N)=S
InChIInChI=1S/C8H11N3O2S2/c1-5-2-3-6(15(10,12)13)4-7(5)11-8(9)14/h2-4H,1H3,(H3,9,11,14)(H2,10,12,13)
InChIKeyJYQTWTCOARSFTF-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.30
Rot. Bonds2

About (2-methyl-5-sulfamoylphenyl)thiourea

(2-methyl-5-sulfamoylphenyl)thiourea (PubChem CID 169356925) has the molecular formula C8H11N3O2S2 and a molecular weight of 245.33 g/mol. Its IUPAC name is (2-methyl-5-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name(2-methyl-5-sulfamoylphenyl)thiourea
PubChem CID169356925
Molecular FormulaC8H11N3O2S2
Molecular Weight245.33 g/mol
Exact Mass245.03
IUPAC Name(2-methyl-5-sulfamoylphenyl)thiourea
SMILESCc1ccc(S(N)(=O)=O)cc1NC(N)=S
InChIInChI=1S/C8H11N3O2S2/c1-5-2-3-6(15(10,12)13)4-7(5)11-8(9)14/h2-4H,1H3,(H3,9,11,14)(H2,10,12,13)
InChIKeyJYQTWTCOARSFTF-UHFFFAOYSA-N
XLogP0.30
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(carbamothioylamino)-4-methylbenzenesulfonic acid;naphthalene
CID 88814975
[2-(dimethylamino)-5-sulfamoylphenyl]thiourea
CID 169357399
ethyl N-(2-methyl-5-sulfamoylphenyl)carbamate
CID 61063184
2-hydroxy-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 61129726
(2R)-2-amino-3-methyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 79013470
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
6-chloro-N-(2-methyl-5-sulfamoylphenyl)pyridazine-3-carboxamide
CID 61052794
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402
3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 62727205
(2-methyl-5-nitrosophenyl)thiourea
CID 88970729

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-sulfamoylphenyl)thiourea?
The IUPAC name of (2-methyl-5-sulfamoylphenyl)thiourea (CID 169356925) is (2-methyl-5-sulfamoylphenyl)thiourea.
What is the SMILES notation for (2-methyl-5-sulfamoylphenyl)thiourea?
The canonical SMILES for (2-methyl-5-sulfamoylphenyl)thiourea is Cc1ccc(S(N)(=O)=O)cc1NC(N)=S.
What is the InChIKey of (2-methyl-5-sulfamoylphenyl)thiourea?
The InChIKey is JYQTWTCOARSFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S2/c1-5-2-3-6(15(10,12)13)4-7(5)11-8(9)14/h2-4H,1H3,(H3,9,11,14)(H2,10,12,13).
What are the key properties of (2-methyl-5-sulfamoylphenyl)thiourea?
(2-methyl-5-sulfamoylphenyl)thiourea has a molecular weight of 245.33 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-sulfamoylphenyl)thiourea is sourced from PubChem (CID 169356925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).