1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine

C12H21ClN2S — CID 103408474

IUPAC1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine
SMILESCCCCCCC(NN)c1scc(C)c1Cl
InChIInChI=1S/C12H21ClN2S/c1-3-4-5-6-7-10(15-14)12-11(13)9(2)8-16-12/h8,10,15H,3-7,14H2,1-2H3
InChIKeyOPTXMCNISDJCMM-UHFFFAOYSA-N
MW260.83 g/mol
LogP4.18
Rot. Bonds7

About 1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine

1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine (PubChem CID 103408474) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine
PubChem CID103408474
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine
SMILESCCCCCCC(NN)c1scc(C)c1Cl
InChIInChI=1S/C12H21ClN2S/c1-3-4-5-6-7-10(15-14)12-11(13)9(2)8-16-12/h8,10,15H,3-7,14H2,1-2H3
InChIKeyOPTXMCNISDJCMM-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.83
LogP ≤ 54.18
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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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)hexylhydrazine
CID 103408484
1-(3-chloro-4-methylthiophen-2-yl)-N-propylnonan-1-amine
CID 103405538
1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
CID 103407894
[1-(3-chloro-4-methylthiophen-2-yl)-4-methylsulfonylbutyl]hydrazine
CID 103408445
1-(3-chlorothiophen-2-yl)nonylhydrazine
CID 105294361
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 103406210
1-(4-methylthiophen-3-yl)octylhydrazine
CID 105251744
1-(2,4,5-trimethylphenyl)octylhydrazine
CID 105312882
1-(5-methylthiophen-3-yl)nonylhydrazine
CID 105313331
1-(3-methylthiophen-2-yl)pentylhydrazine
CID 105245717
1-(2-chloro-3-methylphenyl)hexylhydrazine
CID 105294703

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine (CID 103408474) is 1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine is CCCCCCC(NN)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine?
The InChIKey is OPTXMCNISDJCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2S/c1-3-4-5-6-7-10(15-14)12-11(13)9(2)8-16-12/h8,10,15H,3-7,14H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine?
1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine has a molecular weight of 260.83 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine is sourced from PubChem (CID 103408474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).