(2-methyl-4-nitrophenyl)thiourea

C8H9N3O2S — CID 3723044

IUPAC(2-methyl-4-nitrophenyl)thiourea
SMILESCc1cc([N+](=O)[O-])ccc1NC(N)=S
InChIInChI=1S/C8H9N3O2S/c1-5-4-6(11(12)13)2-3-7(5)10-8(9)14/h2-4H,1H3,(H3,9,10,14)
InChIKeyRRSNRUQPEWBJAE-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.56
Rot. Bonds2

About (2-methyl-4-nitrophenyl)thiourea

(2-methyl-4-nitrophenyl)thiourea (PubChem CID 3723044) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is (2-methyl-4-nitrophenyl)thiourea.

Molecular Properties

Compound Name(2-methyl-4-nitrophenyl)thiourea
PubChem CID3723044
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name(2-methyl-4-nitrophenyl)thiourea
SMILESCc1cc([N+](=O)[O-])ccc1NC(N)=S
InChIInChI=1S/C8H9N3O2S/c1-5-4-6(11(12)13)2-3-7(5)10-8(9)14/h2-4H,1H3,(H3,9,10,14)
InChIKeyRRSNRUQPEWBJAE-UHFFFAOYSA-N
XLogP1.56
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (2-methyl-4-nitrophenyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dimethyl-4-nitrophenyl)thiourea
CID 169356550
(4-nitro-2-sulfanylphenyl)thiourea
CID 169359136
1-ethyl-3-(2-methyl-4-nitrophenyl)thiourea
CID 4930179
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 43699406
2-methyl-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 45097641
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
(2R)-2-amino-3-methyl-N-(2-methyl-4-nitrophenyl)butanamide
CID 79011732
N-chloro-2-methyl-4-nitroaniline
CID 134879883
1-(2-methyl-4-nitrophenyl)-3-propan-2-ylurea
CID 113222207
methyl 4-(2-methyl-4-nitroanilino)-4-oxobutanoate
CID 2844064
N-[(2-methyl-4-nitrophenyl)carbamothioyl]heptanamide
CID 54788937

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-nitrophenyl)thiourea?
The IUPAC name of (2-methyl-4-nitrophenyl)thiourea (CID 3723044) is (2-methyl-4-nitrophenyl)thiourea.
What is the SMILES notation for (2-methyl-4-nitrophenyl)thiourea?
The canonical SMILES for (2-methyl-4-nitrophenyl)thiourea is Cc1cc([N+](=O)[O-])ccc1NC(N)=S.
What is the InChIKey of (2-methyl-4-nitrophenyl)thiourea?
The InChIKey is RRSNRUQPEWBJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-5-4-6(11(12)13)2-3-7(5)10-8(9)14/h2-4H,1H3,(H3,9,10,14).
What are the key properties of (2-methyl-4-nitrophenyl)thiourea?
(2-methyl-4-nitrophenyl)thiourea has a molecular weight of 211.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-nitrophenyl)thiourea is sourced from PubChem (CID 3723044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).