[(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine

C14H15ClN2O2S — CID 103408542

IUPAC[(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
SMILESCc1csc(C(NN)c2ccc3c(c2)OCCO3)c1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-8-7-20-14(12(8)15)13(17-16)9-2-3-10-11(6-9)19-5-4-18-10/h2-3,6-7,13,17H,4-5,16H2,1H3
InChIKeyMZGRMEQMUURTAN-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.03
Rot. Bonds3

About [(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine

[(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine (PubChem CID 103408542) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is [(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
PubChem CID103408542
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name[(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
SMILESCc1csc(C(NN)c2ccc3c(c2)OCCO3)c1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-8-7-20-14(12(8)15)13(17-16)9-2-3-10-11(6-9)19-5-4-18-10/h2-3,6-7,13,17H,4-5,16H2,1H3
InChIKeyMZGRMEQMUURTAN-UHFFFAOYSA-N
XLogP3.03
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.03
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

[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine
CID 103408376
[(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 103408381
[2,3-dihydro-1,4-benzodioxin-6-yl-(3-methylphenyl)methyl]hydrazine
CID 105200833
[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105261083
[(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
CID 105302932
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 105302894
[(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105398142
[(3-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105300978
6-chloro-7-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 103404596
[(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methyl]hydrazine
CID 103408765
[(2-bromo-5-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105301067
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 114031820

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine (CID 103408542) is [(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine is Cc1csc(C(NN)c2ccc3c(c2)OCCO3)c1Cl.
What is the InChIKey of [(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
The InChIKey is MZGRMEQMUURTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-8-7-20-14(12(8)15)13(17-16)9-2-3-10-11(6-9)19-5-4-18-10/h2-3,6-7,13,17H,4-5,16H2,1H3.
What are the key properties of [(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine?
[(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine has a molecular weight of 310.81 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine is sourced from PubChem (CID 103408542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).