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

C12H17ClN2OS — CID 105320870

IUPAC[(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine
SMILESCOc1cc(C(NN)C2CCSC2)ccc1Cl
InChIInChI=1S/C12H17ClN2OS/c1-16-11-6-8(2-3-10(11)13)12(15-14)9-4-5-17-7-9/h2-3,6,9,12,15H,4-5,7,14H2,1H3
InChIKeyZWXILYFVOVSFLK-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.61
Rot. Bonds4

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

[(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine (PubChem CID 105320870) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is [(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine
PubChem CID105320870
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name[(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine
SMILESCOc1cc(C(NN)C2CCSC2)ccc1Cl
InChIInChI=1S/C12H17ClN2OS/c1-16-11-6-8(2-3-10(11)13)12(15-14)9-4-5-17-7-9/h2-3,6,9,12,15H,4-5,7,14H2,1H3
InChIKeyZWXILYFVOVSFLK-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.61
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-chloro-3-methoxyphenyl)-(thiolan-3-yl)methanol
CID 105111122
[(4-chloro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265723
[(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]hydrazine
CID 105234117
[(4-chlorophenyl)-(thiolan-3-yl)methyl]hydrazine
CID 105281249
[(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255698
[6-bicyclo[3.1.0]hexanyl-(4-chloro-3-methoxyphenyl)methyl]hydrazine
CID 105320826
(4-chloro-3-methoxyphenyl)-(thian-3-yl)methanol
CID 114283113
[(4-chloro-3-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105320846
[cyclopropyl-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 105314485
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 79697209
1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine
CID 80604128
[(4-propylphenyl)-(thiolan-3-yl)methyl]hydrazine
CID 105303906

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine (CID 105320870) is [(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine is COc1cc(C(NN)C2CCSC2)ccc1Cl.
What is the InChIKey of [(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine?
The InChIKey is ZWXILYFVOVSFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-16-11-6-8(2-3-10(11)13)12(15-14)9-4-5-17-7-9/h2-3,6,9,12,15H,4-5,7,14H2,1H3.
What are the key properties of [(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine?
[(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine has a molecular weight of 272.80 g/mol, XLogP of 2.61, 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)-(thiolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105320870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).