1-phenylsulfanylheptan-2-ylhydrazine

C13H22N2S — CID 105228217

IUPAC1-phenylsulfanylheptan-2-ylhydrazine
SMILESCCCCCC(CSc1ccccc1)NN
InChIInChI=1S/C13H22N2S/c1-2-3-5-8-12(15-14)11-16-13-9-6-4-7-10-13/h4,6-7,9-10,12,15H,2-3,5,8,11,14H2,1H3
InChIKeyXUHQFAWHHLQYSU-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.19
Rot. Bonds8

About 1-phenylsulfanylheptan-2-ylhydrazine

1-phenylsulfanylheptan-2-ylhydrazine (PubChem CID 105228217) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-phenylsulfanylheptan-2-ylhydrazine.

Molecular Properties

Compound Name1-phenylsulfanylheptan-2-ylhydrazine
PubChem CID105228217
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-phenylsulfanylheptan-2-ylhydrazine
SMILESCCCCCC(CSc1ccccc1)NN
InChIInChI=1S/C13H22N2S/c1-2-3-5-8-12(15-14)11-16-13-9-6-4-7-10-13/h4,6-7,9-10,12,15H,2-3,5,8,11,14H2,1H3
InChIKeyXUHQFAWHHLQYSU-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)sulfanylnonan-2-ylhydrazine
CID 105236394
1-(3-bromophenyl)sulfanylhexan-2-ylhydrazine
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1-phenylsulfanylundecan-2-ol
CID 65142065
1-propan-2-ylsulfanylundecan-2-ylhydrazine
CID 105226075
1-propan-2-ylsulfanylnonan-2-ylhydrazine
CID 105226034
1-propan-2-ylsulfanyltetradecan-2-ylhydrazine
CID 105226035
1-phenoxydecan-2-ylhydrazine
CID 105212962
2-bromohexylsulfanylbenzene
CID 15892245
[(1S)-1-phenyldecyl]hydrazine
CID 124596381
[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine
CID 105228177
1-(4-fluorophenyl)sulfanyl-N-methylnonan-2-amine
CID 66071202
1-(4-bromophenyl)sulfanyl-N-ethylheptan-2-amine
CID 66054321

Frequently Asked Questions

What is the IUPAC name of 1-phenylsulfanylheptan-2-ylhydrazine?
The IUPAC name of 1-phenylsulfanylheptan-2-ylhydrazine (CID 105228217) is 1-phenylsulfanylheptan-2-ylhydrazine.
What is the SMILES notation for 1-phenylsulfanylheptan-2-ylhydrazine?
The canonical SMILES for 1-phenylsulfanylheptan-2-ylhydrazine is CCCCCC(CSc1ccccc1)NN.
What is the InChIKey of 1-phenylsulfanylheptan-2-ylhydrazine?
The InChIKey is XUHQFAWHHLQYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-3-5-8-12(15-14)11-16-13-9-6-4-7-10-13/h4,6-7,9-10,12,15H,2-3,5,8,11,14H2,1H3.
What are the key properties of 1-phenylsulfanylheptan-2-ylhydrazine?
1-phenylsulfanylheptan-2-ylhydrazine has a molecular weight of 238.40 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylsulfanylheptan-2-ylhydrazine is sourced from PubChem (CID 105228217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).