[5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine

C14H21ClN2S2 — CID 10425931

IUPAC[5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine
SMILESCCCCC1(c2ccc(Cl)c(NN)c2)SCCCS1
InChIInChI=1S/C14H21ClN2S2/c1-2-3-7-14(18-8-4-9-19-14)11-5-6-12(15)13(10-11)17-16/h5-6,10,17H,2-4,7-9,16H2,1H3
InChIKeyVETGZGWKFOHAQS-UHFFFAOYSA-N
MW316.92 g/mol
LogP4.84
Rot. Bonds5

About [5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine

[5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine (PubChem CID 10425931) has the molecular formula C14H21ClN2S2 and a molecular weight of 316.92 g/mol. Its IUPAC name is [5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine.

Molecular Properties

Compound Name[5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine
PubChem CID10425931
Molecular FormulaC14H21ClN2S2
Molecular Weight316.92 g/mol
Exact Mass316.08
IUPAC Name[5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine
SMILESCCCCC1(c2ccc(Cl)c(NN)c2)SCCCS1
InChIInChI=1S/C14H21ClN2S2/c1-2-3-7-14(18-8-4-9-19-14)11-5-6-12(15)13(10-11)17-16/h5-6,10,17H,2-4,7-9,16H2,1H3
InChIKeyVETGZGWKFOHAQS-UHFFFAOYSA-N
XLogP4.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 54.84
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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Frequently Asked Questions

What is the IUPAC name of [5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine?
The IUPAC name of [5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine (CID 10425931) is [5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine.
What is the SMILES notation for [5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine?
The canonical SMILES for [5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine is CCCCC1(c2ccc(Cl)c(NN)c2)SCCCS1.
What is the InChIKey of [5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine?
The InChIKey is VETGZGWKFOHAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2S2/c1-2-3-7-14(18-8-4-9-19-14)11-5-6-12(15)13(10-11)17-16/h5-6,10,17H,2-4,7-9,16H2,1H3.
What are the key properties of [5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine?
[5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine has a molecular weight of 316.92 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-butyl-1,3-dithian-2-yl)-2-chlorophenyl]hydrazine is sourced from PubChem (CID 10425931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).