1,2-dichloroethyl(methyl)diazene

C3H6Cl2N2 — CID 57050745

IUPAC1,2-dichloroethyl(methyl)diazene
SMILESC/N=N/C(Cl)CCl
InChIInChI=1S/C3H6Cl2N2/c1-6-7-3(5)2-4/h3H,2H2,1H3/b7-6+
InChIKeyZPMWBZGDOFFOLK-VOTSOKGWSA-N
MW141.00 g/mol
LogP1.87
Rot. Bonds2

About 1,2-dichloroethyl(methyl)diazene

1,2-dichloroethyl(methyl)diazene (PubChem CID 57050745) has the molecular formula C3H6Cl2N2 and a molecular weight of 141.00 g/mol. Its IUPAC name is 1,2-dichloroethyl(methyl)diazene.

Molecular Properties

Compound Name1,2-dichloroethyl(methyl)diazene
PubChem CID57050745
Molecular FormulaC3H6Cl2N2
Molecular Weight141.00 g/mol
Exact Mass139.99
IUPAC Name1,2-dichloroethyl(methyl)diazene
SMILESC/N=N/C(Cl)CCl
InChIInChI=1S/C3H6Cl2N2/c1-6-7-3(5)2-4/h3H,2H2,1H3/b7-6+
InChIKeyZPMWBZGDOFFOLK-VOTSOKGWSA-N
XLogP1.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.00
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

tert-butyl(1-chloropropyl)diazene
CID 15264506
1,2-dichloropropane;titanium
CID 88762967
1,3-dichloro-1-nitrosopropane
CID 89269470
1,2,3,4-tetrachlorobutane
CID 155672172
2-(methyldiazenyl)propan-1-amine
CID 90882233
1,1,3-trichloro-2-methylpropane
CID 23268512
1,3-dichloro-2-(chloromethyl)butane
CID 87685520
bis(1,1-dichloroethane);bis(1,2-dichloroethane)
CID 175329145
1,2,3-trichloropropane;hydrate
CID 172556253
1,3-dichloro-2-[[3-chloro-2-(chloromethyl)butyl]sulfanylmethyl]butane
CID 22211748
(2S)-2-(methyldiazenyl)pentanedioic acid
CID 141487239
1,2-dibromoethane;1,1-dichloroethane;1,2-dichloroethane
CID 161263882

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloroethyl(methyl)diazene?
The IUPAC name of 1,2-dichloroethyl(methyl)diazene (CID 57050745) is 1,2-dichloroethyl(methyl)diazene.
What is the SMILES notation for 1,2-dichloroethyl(methyl)diazene?
The canonical SMILES for 1,2-dichloroethyl(methyl)diazene is C/N=N/C(Cl)CCl.
What is the InChIKey of 1,2-dichloroethyl(methyl)diazene?
The InChIKey is ZPMWBZGDOFFOLK-VOTSOKGWSA-N. The full InChI is InChI=1S/C3H6Cl2N2/c1-6-7-3(5)2-4/h3H,2H2,1H3/b7-6+.
What are the key properties of 1,2-dichloroethyl(methyl)diazene?
1,2-dichloroethyl(methyl)diazene has a molecular weight of 141.00 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethyl(methyl)diazene is sourced from PubChem (CID 57050745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).