[3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine

C14H17N3S — CID 62764191

IUPAC[3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
SMILESCc1cccc(CSCc2cccnc2NN)c1
InChIInChI=1S/C14H17N3S/c1-11-4-2-5-12(8-11)9-18-10-13-6-3-7-16-14(13)17-15/h2-8H,9-10,15H2,1H3,(H,16,17)
InChIKeyKCXRDHFBMJTBMB-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.11
Rot. Bonds5

About [3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine

[3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine (PubChem CID 62764191) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is [3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
PubChem CID62764191
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name[3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
SMILESCc1cccc(CSCc2cccnc2NN)c1
InChIInChI=1S/C14H17N3S/c1-11-4-2-5-12(8-11)9-18-10-13-6-3-7-16-14(13)17-15/h2-8H,9-10,15H2,1H3,(H,16,17)
InChIKeyKCXRDHFBMJTBMB-UHFFFAOYSA-N
XLogP3.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-[(3-methylphenyl)methylsulfanylmethyl]pyridine
CID 62770937
3-[(3-methylphenyl)methylsulfanylmethyl]pyridine-2-carboxylic acid
CID 63098284
[5-[(3-methylphenyl)methylsulfanylmethyl]pyrazin-2-yl]hydrazine
CID 103062082
[3-(propan-2-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 62464001
2-[(3-methylphenyl)methylsulfanylmethyl]benzoic acid
CID 62769683
5-[(3-methylphenyl)methylsulfanylmethyl]pyridin-2-amine
CID 62766078
5-methyl-4-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63581065
2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol
CID 62466321
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465954
N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 8839292
2,2-dimethyl-3-[(3-methylphenyl)methylsulfanyl]propanehydrazide
CID 79631000
[2-fluoro-5-[(3-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107880544

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine?
The IUPAC name of [3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine (CID 62764191) is [3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine is Cc1cccc(CSCc2cccnc2NN)c1.
What is the InChIKey of [3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine?
The InChIKey is KCXRDHFBMJTBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-4-2-5-12(8-11)9-18-10-13-6-3-7-16-14(13)17-15/h2-8H,9-10,15H2,1H3,(H,16,17).
What are the key properties of [3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine?
[3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine has a molecular weight of 259.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62764191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).