4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide

C15H14N2S — CID 4309216

IUPAC4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide
SMILESCc1ccc(/N=C/c2ccc(C(N)=S)cc2)cc1
InChIInChI=1S/C15H14N2S/c1-11-2-8-14(9-3-11)17-10-12-4-6-13(7-5-12)15(16)18/h2-10H,1H3,(H2,16,18)/b17-10+
InChIKeyZEFZPCKVMIHZBN-LICLKQGHSA-N
MW254.36 g/mol
LogP3.38
Rot. Bonds3

About 4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide

4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide (PubChem CID 4309216) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide
PubChem CID4309216
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide
SMILESCc1ccc(/N=C/c2ccc(C(N)=S)cc2)cc1
InChIInChI=1S/C15H14N2S/c1-11-2-8-14(9-3-11)17-10-12-4-6-13(7-5-12)15(16)18/h2-10H,1H3,(H2,16,18)/b17-10+
InChIKeyZEFZPCKVMIHZBN-LICLKQGHSA-N
XLogP3.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
4-[(4-methylphenyl)iminomethyl]benzoic acid
CID 3402295
N-(4-bromophenyl)-1-(4-methylphenyl)methanimine
CID 525717
1-(4-methylphenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]methanimine
CID 102429934
methane;methyl formate;methyl 4-[(4-methylphenyl)iminomethyl]benzoate
CID 160768273
(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate
CID 102302331
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-bromobenzoate
CID 102305242
4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658
4-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 1240043
1-(4-ethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 767226
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 964993

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide?
The IUPAC name of 4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide (CID 4309216) is 4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide.
What is the SMILES notation for 4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide?
The canonical SMILES for 4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide is Cc1ccc(/N=C/c2ccc(C(N)=S)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide?
The InChIKey is ZEFZPCKVMIHZBN-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14N2S/c1-11-2-8-14(9-3-11)17-10-12-4-6-13(7-5-12)15(16)18/h2-10H,1H3,(H2,16,18)/b17-10+.
What are the key properties of 4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide?
4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide has a molecular weight of 254.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)iminomethyl]benzenecarbothioamide is sourced from PubChem (CID 4309216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).