2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride

C8H18Cl2N2OS2 — CID 175295628

IUPAC2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride
SMILESNCCSSCCN.O=C(Cl)CCCCl
InChIInChI=1S/C4H6Cl2O.C4H12N2S2/c5-3-1-2-4(6)7;5-1-3-7-8-4-2-6/h1-3H2;1-6H2
InChIKeyBYDOGFPQFXOCFS-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.06
Rot. Bonds8

About 2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride

2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride (PubChem CID 175295628) has the molecular formula C8H18Cl2N2OS2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride.

Molecular Properties

Compound Name2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride
PubChem CID175295628
Molecular FormulaC8H18Cl2N2OS2
Molecular Weight293.29 g/mol
Exact Mass292.02
IUPAC Name2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride
SMILESNCCSSCCN.O=C(Cl)CCCCl
InChIInChI=1S/C4H6Cl2O.C4H12N2S2/c5-3-1-2-4(6)7;5-1-3-7-8-4-2-6/h1-3H2;1-6H2
InChIKeyBYDOGFPQFXOCFS-UHFFFAOYSA-N
XLogP2.06
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium
CID 88813619
3-aminopropanoyl chloride
CID 11217318
2-(2-aminoethyldisulfanyl)ethanamine
CID 2915
5-chloro-2-methylidenepentanamide
CID 87433992
N-[2-(2-aminoethyldisulfanyl)ethyl]-N'-[2-[2-[[5-[2-(2-aminoethyldisulfanyl)ethylamino]-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]pentanediamide
CID 56675271
5-chloro-2-methylidenepentanoyl chloride
CID 126970691
N-[2-(2-aminoethyldisulfanyl)ethyl]-N'-[2-[2-[[5-[2-(2-aminoethyldisulfanyl)ethylamino]-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]pentanediamide;dihydrochloride
CID 90664806
2-(3-chloropropylsulfanyl)acetyl chloride
CID 58145853
3-chlorobenzoyl chloride;4-chlorobenzoyl chloride;4-chlorobutanoyl chloride
CID 158459582
2-(2-aminoethyldisulfanyl)ethanamine;prop-2-enoic acid;dihydrochloride
CID 174809440
12-chlorododecanoyl chloride;dimethylsilane;3-triethoxysilylpropan-1-amine
CID 157096772
benzene;4-chlorobutanoyl chloride;4-chloro-1-phenylbutan-1-one;ethane
CID 159698256

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride?
The IUPAC name of 2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride (CID 175295628) is 2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride.
What is the SMILES notation for 2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride?
The canonical SMILES for 2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride is NCCSSCCN.O=C(Cl)CCCCl.
What is the InChIKey of 2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride?
The InChIKey is BYDOGFPQFXOCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2O.C4H12N2S2/c5-3-1-2-4(6)7;5-1-3-7-8-4-2-6/h1-3H2;1-6H2.
What are the key properties of 2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride?
2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride has a molecular weight of 293.29 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyldisulfanyl)ethanamine;4-chlorobutanoyl chloride is sourced from PubChem (CID 175295628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).