[1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine

C12H17FN2OS2 — CID 105249366

IUPAC[1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CSCCS2)cc1F
InChIInChI=1S/C12H17FN2OS2/c1-16-10-3-2-8(6-9(10)13)12(15-14)11-7-17-4-5-18-11/h2-3,6,11-12,15H,4-5,7,14H2,1H3
InChIKeyCQNNCXSLALAKAS-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.19
Rot. Bonds4

About [1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine

[1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine (PubChem CID 105249366) has the molecular formula C12H17FN2OS2 and a molecular weight of 288.41 g/mol. Its IUPAC name is [1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
PubChem CID105249366
Molecular FormulaC12H17FN2OS2
Molecular Weight288.41 g/mol
Exact Mass288.08
IUPAC Name[1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CSCCS2)cc1F
InChIInChI=1S/C12H17FN2OS2/c1-16-10-3-2-8(6-9(10)13)12(15-14)11-7-17-4-5-18-11/h2-3,6,11-12,15H,4-5,7,14H2,1H3
InChIKeyCQNNCXSLALAKAS-UHFFFAOYSA-N
XLogP2.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methanol
CID 79973431
[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105249296
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406
[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249218
[(2,2-dimethylcyclopentyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 107193846
[(3-fluoro-4-methoxyphenyl)-(3-methyloxan-4-yl)methyl]hydrazine
CID 114242090
[1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105249199
[(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255698
[(3-fluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105304059
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
[(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methyl]hydrazine
CID 105320870
1-cycloheptyl-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 62587575

Frequently Asked Questions

What is the IUPAC name of [1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine (CID 105249366) is [1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine is COc1ccc(C(NN)C2CSCCS2)cc1F.
What is the InChIKey of [1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine?
The InChIKey is CQNNCXSLALAKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS2/c1-16-10-3-2-8(6-9(10)13)12(15-14)11-7-17-4-5-18-11/h2-3,6,11-12,15H,4-5,7,14H2,1H3.
What are the key properties of [1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine?
[1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine has a molecular weight of 288.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105249366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).