1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine

C10H15ClN2S — CID 105237904

IUPAC1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
SMILESCCC(CSc1cccc(Cl)c1)NN
InChIInChI=1S/C10H15ClN2S/c1-2-9(13-12)7-14-10-5-3-4-8(11)6-10/h3-6,9,13H,2,7,12H2,1H3
InChIKeyVZMBBJICPWOAHJ-UHFFFAOYSA-N
MW230.76 g/mol
LogP2.67
Rot. Bonds5

About 1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine

1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine (PubChem CID 105237904) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
PubChem CID105237904
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
SMILESCCC(CSc1cccc(Cl)c1)NN
InChIInChI=1S/C10H15ClN2S/c1-2-9(13-12)7-14-10-5-3-4-8(11)6-10/h3-6,9,13H,2,7,12H2,1H3
InChIKeyVZMBBJICPWOAHJ-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 52.67
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-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105237861
[1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine
CID 105237970
[2-(3-chlorophenyl)sulfanyl-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105237806
1-(4-chlorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66146432
3-(3-chlorophenyl)sulfanyl-2-(ethylamino)propanenitrile
CID 62647536
[2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]hydrazine
CID 105237907
[2-(3-chlorophenyl)sulfanyl-1-(2-ethoxyphenyl)ethyl]hydrazine
CID 105237797
N-[2-(3-chlorophenyl)sulfanylpropyl]pentan-3-amine
CID 63516794
1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934
1-(3-chlorophenyl)sulfanyl-N-ethyl-4-methylidenehexan-2-amine
CID 66147897
1-(3-chlorophenyl)sulfanyl-N-propylnonan-2-amine
CID 66146019
[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine
CID 105236538

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine?
The IUPAC name of 1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine (CID 105237904) is 1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine?
The canonical SMILES for 1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine is CCC(CSc1cccc(Cl)c1)NN.
What is the InChIKey of 1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine?
The InChIKey is VZMBBJICPWOAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-2-9(13-12)7-14-10-5-3-4-8(11)6-10/h3-6,9,13H,2,7,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine?
1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine has a molecular weight of 230.76 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine is sourced from PubChem (CID 105237904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).