[1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine

C11H17ClN2S — CID 105237636

IUPAC[1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine
SMILESCC(C)C(CSc1ccccc1Cl)NN
InChIInChI=1S/C11H17ClN2S/c1-8(2)10(14-13)7-15-11-6-4-3-5-9(11)12/h3-6,8,10,14H,7,13H2,1-2H3
InChIKeyVPGWQJGHALTHRM-UHFFFAOYSA-N
MW244.79 g/mol
LogP2.92
Rot. Bonds5

About [1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine

[1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine (PubChem CID 105237636) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is [1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine
PubChem CID105237636
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name[1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine
SMILESCC(C)C(CSc1ccccc1Cl)NN
InChIInChI=1S/C11H17ClN2S/c1-8(2)10(14-13)7-15-11-6-4-3-5-9(11)12/h3-6,8,10,14H,7,13H2,1-2H3
InChIKeyVPGWQJGHALTHRM-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 52.92
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'}

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Related Compounds

[1-(2-chlorophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105237772
[1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-yl]hydrazine
CID 105237720
[2-(2-chlorophenyl)sulfanyl-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105237706
1-[2-(bromomethyl)-3-methylbutyl]sulfanyl-2-chlorobenzene
CID 65012063
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240
[2-(2-chlorophenyl)sulfanyl-1-(4-propylphenyl)ethyl]hydrazine
CID 105237569
[1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237547
[1-(2-chlorophenyl)sulfanyl-5-methoxy-5-methylhexan-2-yl]hydrazine
CID 103026842
(2-chlorophenyl)sulfanylmethyl-trifluoroboranuide
CID 63703391
1-(2-chlorophenyl)sulfanyl-3-methylbut-3-en-2-amine
CID 79178847
1-(2-chlorophenyl)sulfanyl-3-methylpentan-2-ol
CID 66152395
[2-(2-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethyl]hydrazine
CID 105237723

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine?
The IUPAC name of [1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine (CID 105237636) is [1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine is CC(C)C(CSc1ccccc1Cl)NN.
What is the InChIKey of [1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine?
The InChIKey is VPGWQJGHALTHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-8(2)10(14-13)7-15-11-6-4-3-5-9(11)12/h3-6,8,10,14H,7,13H2,1-2H3.
What are the key properties of [1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine?
[1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine has a molecular weight of 244.79 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)sulfanyl-3-methylbutan-2-yl]hydrazine is sourced from PubChem (CID 105237636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).