1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine

C9H13IN2S — CID 155218017

IUPAC1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine
SMILESCCSc1cccc(N(C)N)c1I
InChIInChI=1S/C9H13IN2S/c1-3-13-8-6-4-5-7(9(8)10)12(2)11/h4-6H,3,11H2,1-2H3
InChIKeyPWZSLGMMUYITOI-UHFFFAOYSA-N
MW308.19 g/mol
LogP2.71
Rot. Bonds3

About 1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine

1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine (PubChem CID 155218017) has the molecular formula C9H13IN2S and a molecular weight of 308.19 g/mol. Its IUPAC name is 1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine.

Molecular Properties

Compound Name1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine
PubChem CID155218017
Molecular FormulaC9H13IN2S
Molecular Weight308.19 g/mol
Exact Mass307.98
IUPAC Name1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine
SMILESCCSc1cccc(N(C)N)c1I
InChIInChI=1S/C9H13IN2S/c1-3-13-8-6-4-5-7(9(8)10)12(2)11/h4-6H,3,11H2,1-2H3
InChIKeyPWZSLGMMUYITOI-UHFFFAOYSA-N
XLogP2.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine?
The IUPAC name of 1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine (CID 155218017) is 1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine.
What is the SMILES notation for 1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine?
The canonical SMILES for 1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine is CCSc1cccc(N(C)N)c1I.
What is the InChIKey of 1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine?
The InChIKey is PWZSLGMMUYITOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2S/c1-3-13-8-6-4-5-7(9(8)10)12(2)11/h4-6H,3,11H2,1-2H3.
What are the key properties of 1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine?
1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine has a molecular weight of 308.19 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanyl-2-iodophenyl)-1-methylhydrazine is sourced from PubChem (CID 155218017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).