(3-hexadecylsulfanylphenyl)hydrazine;hydrochloride

C22H41ClN2S — CID 45049022

IUPAC(3-hexadecylsulfanylphenyl)hydrazine;hydrochloride
SMILESCCCCCCCCCCCCCCCCSc1cccc(NN)c1.Cl
InChIInChI=1S/C22H40N2S.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-22-18-16-17-21(20-22)24-23;/h16-18,20,24H,2-15,19,23H2,1H3;1H
InChIKeyCHBYNXXNVBUPFQ-UHFFFAOYSA-N
MW401.10 g/mol
LogP7.97
Rot. Bonds17

About (3-hexadecylsulfanylphenyl)hydrazine;hydrochloride

(3-hexadecylsulfanylphenyl)hydrazine;hydrochloride (PubChem CID 45049022) has the molecular formula C22H41ClN2S and a molecular weight of 401.10 g/mol. Its IUPAC name is (3-hexadecylsulfanylphenyl)hydrazine;hydrochloride.

Molecular Properties

Compound Name(3-hexadecylsulfanylphenyl)hydrazine;hydrochloride
PubChem CID45049022
Molecular FormulaC22H41ClN2S
Molecular Weight401.10 g/mol
Exact Mass400.27
IUPAC Name(3-hexadecylsulfanylphenyl)hydrazine;hydrochloride
SMILESCCCCCCCCCCCCCCCCSc1cccc(NN)c1.Cl
InChIInChI=1S/C22H40N2S.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-22-18-16-17-21(20-22)24-23;/h16-18,20,24H,2-15,19,23H2,1H3;1H
InChIKeyCHBYNXXNVBUPFQ-UHFFFAOYSA-N
XLogP7.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.10
LogP ≤ 57.97
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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Frequently Asked Questions

What is the IUPAC name of (3-hexadecylsulfanylphenyl)hydrazine;hydrochloride?
The IUPAC name of (3-hexadecylsulfanylphenyl)hydrazine;hydrochloride (CID 45049022) is (3-hexadecylsulfanylphenyl)hydrazine;hydrochloride.
What is the SMILES notation for (3-hexadecylsulfanylphenyl)hydrazine;hydrochloride?
The canonical SMILES for (3-hexadecylsulfanylphenyl)hydrazine;hydrochloride is CCCCCCCCCCCCCCCCSc1cccc(NN)c1.Cl.
What is the InChIKey of (3-hexadecylsulfanylphenyl)hydrazine;hydrochloride?
The InChIKey is CHBYNXXNVBUPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2S.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-22-18-16-17-21(20-22)24-23;/h16-18,20,24H,2-15,19,23H2,1H3;1H.
What are the key properties of (3-hexadecylsulfanylphenyl)hydrazine;hydrochloride?
(3-hexadecylsulfanylphenyl)hydrazine;hydrochloride has a molecular weight of 401.10 g/mol, XLogP of 7.97, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexadecylsulfanylphenyl)hydrazine;hydrochloride is sourced from PubChem (CID 45049022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).