1-anilino-3-(3-methylphenyl)thiourea

C14H15N3S — CID 8619974

IUPAC1-anilino-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)NNc2ccccc2)c1
InChIInChI=1S/C14H15N3S/c1-11-6-5-9-13(10-11)15-14(18)17-16-12-7-3-2-4-8-12/h2-10,16H,1H3,(H2,15,17,18)
InChIKeyVKELPQBIUHFDCX-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.31
Rot. Bonds3

About 1-anilino-3-(3-methylphenyl)thiourea

1-anilino-3-(3-methylphenyl)thiourea (PubChem CID 8619974) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-anilino-3-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-anilino-3-(3-methylphenyl)thiourea
PubChem CID8619974
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name1-anilino-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)NNc2ccccc2)c1
InChIInChI=1S/C14H15N3S/c1-11-6-5-9-13(10-11)15-14(18)17-16-12-7-3-2-4-8-12/h2-10,16H,1H3,(H2,15,17,18)
InChIKeyVKELPQBIUHFDCX-UHFFFAOYSA-N
XLogP3.31
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_D(8)', '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-(4-methylanilino)-3-phenylthiourea
CID 3293751
1,3-bis[(3-methylphenyl)carbamothioylamino]urea
CID 2823948
1-(3,5-dimethylphenyl)-3-(phenylcarbamothioylamino)thiourea
CID 8001043
1-benzhydryl-3-(3-methylphenyl)thiourea
CID 19651934
1-(3-bromophenyl)-3-(3-methylphenyl)thiourea
CID 9234111
1-ethyl-3-(3-methylanilino)thiourea
CID 8668738
1-(3-methylphenyl)-3-pyridin-4-ylthiourea
CID 19655574
N-(3-methylphenyl)-3-(phenylcarbamothioylamino)benzamide
CID 26164526
1-(3-methylphenyl)-3-[(3-methylphenyl)-phenylmethyl]thiourea
CID 133216260
1-(3-chloroanilino)-3-phenylthiourea
CID 57269014
1-(4-methoxyanilino)-3-phenylthiourea
CID 14147208
1-anilino-3-[3,5-bis(trifluoromethyl)phenyl]thiourea
CID 2731554

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(3-methylphenyl)thiourea?
The IUPAC name of 1-anilino-3-(3-methylphenyl)thiourea (CID 8619974) is 1-anilino-3-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-anilino-3-(3-methylphenyl)thiourea?
The canonical SMILES for 1-anilino-3-(3-methylphenyl)thiourea is Cc1cccc(NC(=S)NNc2ccccc2)c1.
What is the InChIKey of 1-anilino-3-(3-methylphenyl)thiourea?
The InChIKey is VKELPQBIUHFDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-11-6-5-9-13(10-11)15-14(18)17-16-12-7-3-2-4-8-12/h2-10,16H,1H3,(H2,15,17,18).
What are the key properties of 1-anilino-3-(3-methylphenyl)thiourea?
1-anilino-3-(3-methylphenyl)thiourea has a molecular weight of 257.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(3-methylphenyl)thiourea is sourced from PubChem (CID 8619974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).