[(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine

C13H19ClN2OS — CID 105255698

IUPAC[(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine
SMILESCOc1cc(C(NN)C2CCCCS2)ccc1Cl
InChIInChI=1S/C13H19ClN2OS/c1-17-11-8-9(5-6-10(11)14)13(16-15)12-4-2-3-7-18-12/h5-6,8,12-13,16H,2-4,7,15H2,1H3
InChIKeyWLKWLRNMCJNVRE-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.14
Rot. Bonds4

About [(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine

[(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine (PubChem CID 105255698) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is [(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine
PubChem CID105255698
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name[(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine
SMILESCOc1cc(C(NN)C2CCCCS2)ccc1Cl
InChIInChI=1S/C13H19ClN2OS/c1-17-11-8-9(5-6-10(11)14)13(16-15)12-4-2-3-7-18-12/h5-6,8,12-13,16H,2-4,7,15H2,1H3
InChIKeyWLKWLRNMCJNVRE-UHFFFAOYSA-N
XLogP3.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.14
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

[(4-propan-2-ylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255964
[6-bicyclo[3.1.0]hexanyl-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320826
[(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine
CID 105320870
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443
[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613
[(4-chloro-3-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105320846
[(4-chloro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265723
1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine
CID 80604128
[(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]hydrazine
CID 105234117
[thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105255884
[[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine
CID 105255948
[thian-2-yl-[3-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 105255890

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine (CID 105255698) is [(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine is COc1cc(C(NN)C2CCCCS2)ccc1Cl.
What is the InChIKey of [(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine?
The InChIKey is WLKWLRNMCJNVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-17-11-8-9(5-6-10(11)14)13(16-15)12-4-2-3-7-18-12/h5-6,8,12-13,16H,2-4,7,15H2,1H3.
What are the key properties of [(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine?
[(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine has a molecular weight of 286.83 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).