[1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine

C14H23ClN2OS — CID 103026842

IUPAC[1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine
SMILESCOC(C)(C)CCC(CSc1ccccc1Cl)NN
InChIInChI=1S/C14H23ClN2OS/c1-14(2,18-3)9-8-11(17-16)10-19-13-7-5-4-6-12(13)15/h4-7,11,17H,8-10,16H2,1-3H3
InChIKeyXSRZJYQDXHJXTH-UHFFFAOYSA-N
MW302.87 g/mol
LogP3.47
Rot. Bonds8

About [1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine

[1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine (PubChem CID 103026842) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is [1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine
PubChem CID103026842
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name[1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine
SMILESCOC(C)(C)CCC(CSc1ccccc1Cl)NN
InChIInChI=1S/C14H23ClN2OS/c1-14(2,18-3)9-8-11(17-16)10-19-13-7-5-4-6-12(13)15/h4-7,11,17H,8-10,16H2,1-3H3
InChIKeyXSRZJYQDXHJXTH-UHFFFAOYSA-N
XLogP3.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 53.47
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

1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-amine
CID 103035782
[1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-yl]hydrazine
CID 105237720
[1-(2-chlorophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105237772
1-(2-chlorophenyl)sulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
CID 66140167
1-(2-chlorophenyl)sulfanyl-5,5-dimethylhexan-2-amine
CID 66139564
1-(2-chlorophenyl)sulfanyl-3-methoxy-3-methylpentan-2-ol
CID 116779676
1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-one
CID 103035352
[1-(3,4-dichlorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026283
[1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine
CID 105237636
[1-(3-chloro-2-pyridinyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103445658
[1-(3-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237759
(5-methoxy-5-methyl-1-thiophen-2-ylhexan-2-yl)hydrazine
CID 103026513

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine?
The IUPAC name of [1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine (CID 103026842) is [1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine is COC(C)(C)CCC(CSc1ccccc1Cl)NN.
What is the InChIKey of [1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine?
The InChIKey is XSRZJYQDXHJXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2OS/c1-14(2,18-3)9-8-11(17-16)10-19-13-7-5-4-6-12(13)15/h4-7,11,17H,8-10,16H2,1-3H3.
What are the key properties of [1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine?
[1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine has a molecular weight of 302.87 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine is sourced from PubChem (CID 103026842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).