1-amino-1-(2,5-dimethylphenyl)thiourea

C9H13N3S — CID 20847893

IUPAC1-amino-1-(2,5-dimethylphenyl)thiourea
SMILESCc1ccc(C)c(N(N)C(N)=S)c1
InChIInChI=1S/C9H13N3S/c1-6-3-4-7(2)8(5-6)12(11)9(10)13/h3-5H,11H2,1-2H3,(H2,10,13)
InChIKeyBRMHFSMSSRDZFW-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.23
Rot. Bonds1

About 1-amino-1-(2,5-dimethylphenyl)thiourea

1-amino-1-(2,5-dimethylphenyl)thiourea (PubChem CID 20847893) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-amino-1-(2,5-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-amino-1-(2,5-dimethylphenyl)thiourea
PubChem CID20847893
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name1-amino-1-(2,5-dimethylphenyl)thiourea
SMILESCc1ccc(C)c(N(N)C(N)=S)c1
InChIInChI=1S/C9H13N3S/c1-6-3-4-7(2)8(5-6)12(11)9(10)13/h3-5H,11H2,1-2H3,(H2,10,13)
InChIKeyBRMHFSMSSRDZFW-UHFFFAOYSA-N
XLogP1.23
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1-(2,5-dimethylphenyl)hydrazine
CID 88866189
N-(2,5-dimethylphenyl)methanesulfonohydrazide
CID 82284532
N,N-bis(2,5-dimethylphenyl)-2,6-dimethylaniline
CID 164803656
1-(2,5-dimethylphenyl)-1-[(4,5-dimethylthiophene-3-carbonyl)amino]thiourea
CID 22299503
1-(3-aminopropyl)-1-(2,5-dimethylphenyl)urea
CID 82392337
3-amino-1-(2,5-dimethylphenyl)-1-methylurea
CID 115192449
N-(2,5-dimethylphenyl)-N,2,4,6-tetramethylaniline
CID 134561467
1-amino-1-(2-ethyl-6-methylphenyl)thiourea
CID 20849979
5-methyl-2-(N,2,4-trimethylanilino)benzenecarbothioamide
CID 107928865
1-(N,2,5-trimethylanilino)propan-2-ol
CID 82112048
N-(2,5-dimethylphenyl)-N,2,3,4,5,6-hexamethylaniline
CID 134561466
2-(2,4-dimethylphenyl)ethanethioamide
CID 82075040

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2,5-dimethylphenyl)thiourea?
The IUPAC name of 1-amino-1-(2,5-dimethylphenyl)thiourea (CID 20847893) is 1-amino-1-(2,5-dimethylphenyl)thiourea.
What is the SMILES notation for 1-amino-1-(2,5-dimethylphenyl)thiourea?
The canonical SMILES for 1-amino-1-(2,5-dimethylphenyl)thiourea is Cc1ccc(C)c(N(N)C(N)=S)c1.
What is the InChIKey of 1-amino-1-(2,5-dimethylphenyl)thiourea?
The InChIKey is BRMHFSMSSRDZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-6-3-4-7(2)8(5-6)12(11)9(10)13/h3-5H,11H2,1-2H3,(H2,10,13).
What are the key properties of 1-amino-1-(2,5-dimethylphenyl)thiourea?
1-amino-1-(2,5-dimethylphenyl)thiourea has a molecular weight of 195.29 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2,5-dimethylphenyl)thiourea is sourced from PubChem (CID 20847893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).