[(4-ethylphenyl)methylideneamino]thiourea

C10H13N3S — CID 724608

IUPAC[(4-ethylphenyl)methylideneamino]thiourea
SMILESCCc1ccc(C=NNC(N)=S)cc1
InChIInChI=1S/C10H13N3S/c1-2-8-3-5-9(6-4-8)7-12-13-10(11)14/h3-7H,2H2,1H3,(H3,11,13,14)
InChIKeyGHYBFTMRZWJKKV-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.42
Rot. Bonds3

About [(4-ethylphenyl)methylideneamino]thiourea

[(4-ethylphenyl)methylideneamino]thiourea (PubChem CID 724608) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is [(4-ethylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(4-ethylphenyl)methylideneamino]thiourea
PubChem CID724608
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name[(4-ethylphenyl)methylideneamino]thiourea
SMILESCCc1ccc(C=NNC(N)=S)cc1
InChIInChI=1S/C10H13N3S/c1-2-8-3-5-9(6-4-8)7-12-13-10(11)14/h3-7H,2H2,1H3,(H3,11,13,14)
InChIKeyGHYBFTMRZWJKKV-UHFFFAOYSA-N
XLogP1.42
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-(4-ethylphenyl)methylideneamino]-3-methylthiourea
CID 7575221
[(4-butan-2-ylphenyl)methylideneamino]thiourea
CID 85334909
[[4-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]thiourea
CID 168534598
[(E)-(4-formylphenyl)methylideneamino]thiourea
CID 139086855
[(E)-(4-propoxyphenyl)methylideneamino]thiourea
CID 6881283
N,N'-bis[(4-ethylphenyl)methylideneamino]butanediamide
CID 3314148
[(E)-(4-propan-2-ylphenyl)methylideneamino]thiourea
CID 6474556
1-[(E)-(4-ethylphenyl)methylideneamino]-3-phenylthiourea
CID 7264044
[4-[(carbamothioylhydrazinylidene)methyl]phenyl] propanoate
CID 168535389
[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]thiourea
CID 6902327
[(E)-[1-(4-ethylphenyl)tetrazol-5-yl]methylideneamino]thiourea
CID 20833596
[(4-dodecoxyphenyl)methylideneamino]thiourea
CID 75149769

Frequently Asked Questions

What is the IUPAC name of [(4-ethylphenyl)methylideneamino]thiourea?
The IUPAC name of [(4-ethylphenyl)methylideneamino]thiourea (CID 724608) is [(4-ethylphenyl)methylideneamino]thiourea.
What is the SMILES notation for [(4-ethylphenyl)methylideneamino]thiourea?
The canonical SMILES for [(4-ethylphenyl)methylideneamino]thiourea is CCc1ccc(C=NNC(N)=S)cc1.
What is the InChIKey of [(4-ethylphenyl)methylideneamino]thiourea?
The InChIKey is GHYBFTMRZWJKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-8-3-5-9(6-4-8)7-12-13-10(11)14/h3-7H,2H2,1H3,(H3,11,13,14).
What are the key properties of [(4-ethylphenyl)methylideneamino]thiourea?
[(4-ethylphenyl)methylideneamino]thiourea has a molecular weight of 207.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 724608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).