[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine

C12H13ClN2S — CID 103408376

IUPAC[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine
SMILESCc1csc(C(NN)c2ccccc2)c1Cl
InChIInChI=1S/C12H13ClN2S/c1-8-7-16-12(10(8)13)11(15-14)9-5-3-2-4-6-9/h2-7,11,15H,14H2,1H3
InChIKeyMNOQGKQWBSDXOF-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.26
Rot. Bonds3

About [(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine

[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine (PubChem CID 103408376) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is [(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine
PubChem CID103408376
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine
SMILESCc1csc(C(NN)c2ccccc2)c1Cl
InChIInChI=1S/C12H13ClN2S/c1-8-7-16-12(10(8)13)11(15-14)9-5-3-2-4-6-9/h2-7,11,15H,14H2,1H3
InChIKeyMNOQGKQWBSDXOF-UHFFFAOYSA-N
XLogP3.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 103408381
[(3-chloro-4-methylthiophen-2-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 103408548
[(3-chloro-4-methylthiophen-2-yl)-(2-fluorophenyl)methyl]hydrazine
CID 103408457
[(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 103408542
2-[bromo(phenyl)methyl]-3-chloro-4-methylthiophene
CID 103404648
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 103405291
[(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine
CID 103408597
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 103405206
[(3-chloro-4-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 103408427
N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine
CID 103400778
[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 106682933
[(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
CID 103524729

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine (CID 103408376) is [(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine is Cc1csc(C(NN)c2ccccc2)c1Cl.
What is the InChIKey of [(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine?
The InChIKey is MNOQGKQWBSDXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-8-7-16-12(10(8)13)11(15-14)9-5-3-2-4-6-9/h2-7,11,15H,14H2,1H3.
What are the key properties of [(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine?
[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine has a molecular weight of 252.77 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine is sourced from PubChem (CID 103408376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).