1-ethyl-3-(3-methylanilino)thiourea

C10H15N3S — CID 8668738

IUPAC1-ethyl-3-(3-methylanilino)thiourea
SMILESCCNC(=S)NNc1cccc(C)c1
InChIInChI=1S/C10H15N3S/c1-3-11-10(14)13-12-9-6-4-5-8(2)7-9/h4-7,12H,3H2,1-2H3,(H2,11,13,14)
InChIKeyTUCNCPWNTUHVDU-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.81
Rot. Bonds3

About 1-ethyl-3-(3-methylanilino)thiourea

1-ethyl-3-(3-methylanilino)thiourea (PubChem CID 8668738) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-ethyl-3-(3-methylanilino)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(3-methylanilino)thiourea
PubChem CID8668738
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-ethyl-3-(3-methylanilino)thiourea
SMILESCCNC(=S)NNc1cccc(C)c1
InChIInChI=1S/C10H15N3S/c1-3-11-10(14)13-12-9-6-4-5-8(2)7-9/h4-7,12H,3H2,1-2H3,(H2,11,13,14)
InChIKeyTUCNCPWNTUHVDU-UHFFFAOYSA-N
XLogP1.81
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylanilino)-3-prop-2-enylthiourea
CID 8668733
dimethyl-[2-[(3-methylanilino)carbamothioylamino]ethyl]azanium
CID 8668755
1-anilino-3-(3-methylphenyl)thiourea
CID 8619974
1-ethyl-3-(4-fluoroanilino)thiourea
CID 8669166
diethyl-[2-[(3-methylphenyl)carbamothioylamino]ethyl]azanium
CID 8619724
2-ethoxy-N'-(3-methylphenyl)acetohydrazide
CID 142063179
N-(ethylcarbamothioyl)-3-methylbenzamide
CID 4947765
1,3-bis[(3-methylphenyl)carbamothioylamino]urea
CID 2823948
1-(3-bromophenyl)-3-(3-methylphenyl)thiourea
CID 9234111
1-(3-methylphenyl)-3-nonylthiourea
CID 19651083
1-(2,3-dimethylphenyl)-3-(ethylcarbamothioylamino)thiourea
CID 7941891
1-ethyl-3-[4-(3-methylphenoxy)butanoylamino]thiourea
CID 7977503

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methylanilino)thiourea?
The IUPAC name of 1-ethyl-3-(3-methylanilino)thiourea (CID 8668738) is 1-ethyl-3-(3-methylanilino)thiourea.
What is the SMILES notation for 1-ethyl-3-(3-methylanilino)thiourea?
The canonical SMILES for 1-ethyl-3-(3-methylanilino)thiourea is CCNC(=S)NNc1cccc(C)c1.
What is the InChIKey of 1-ethyl-3-(3-methylanilino)thiourea?
The InChIKey is TUCNCPWNTUHVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-3-11-10(14)13-12-9-6-4-5-8(2)7-9/h4-7,12H,3H2,1-2H3,(H2,11,13,14).
What are the key properties of 1-ethyl-3-(3-methylanilino)thiourea?
1-ethyl-3-(3-methylanilino)thiourea has a molecular weight of 209.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methylanilino)thiourea is sourced from PubChem (CID 8668738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).