cadmium(2+);2-(diethylamino)ethanethiol;diacetate

C10H21CdNO4S — CID 157171436

IUPACcadmium(2+);2-(diethylamino)ethanethiol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCN(CC)CCS.[Cd+2]
InChIInChI=1S/C6H15NS.2C2H4O2.Cd/c1-3-7(4-2)5-6-8;2*1-2(3)4;/h8H,3-6H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyANMYPDVXRYKWTK-UHFFFAOYSA-L
MW363.76 g/mol
LogP-1.23
Rot. Bonds4

About cadmium(2+);2-(diethylamino)ethanethiol;diacetate

cadmium(2+);2-(diethylamino)ethanethiol;diacetate (PubChem CID 157171436) has the molecular formula C10H21CdNO4S and a molecular weight of 363.76 g/mol. Its IUPAC name is cadmium(2+);2-(diethylamino)ethanethiol;diacetate.

Molecular Properties

Compound Namecadmium(2+);2-(diethylamino)ethanethiol;diacetate
PubChem CID157171436
Molecular FormulaC10H21CdNO4S
Molecular Weight363.76 g/mol
Exact Mass365.02
IUPAC Namecadmium(2+);2-(diethylamino)ethanethiol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCN(CC)CCS.[Cd+2]
InChIInChI=1S/C6H15NS.2C2H4O2.Cd/c1-3-7(4-2)5-6-8;2*1-2(3)4;/h8H,3-6H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyANMYPDVXRYKWTK-UHFFFAOYSA-L
XLogP-1.23
TPSA83.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diethylethanamine;methanol;acetate
CID 19101833
2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride
CID 158826540
N,N-diethylethanamine;2-methylprop-2-enoate;acetate
CID 23047096
2-aminoethanethiol;2-(diethylamino)ethanethiol;dihydrochloride
CID 174516424
(E)-5-(diethylamino)-2-methylpent-2-enoate
CID 23330271
4-(diethylamino)butanoate;dihydrochloride
CID 21450375
N,N-diethylethanamine;3-oxobutanoate
CID 19857191
2-[2-(diethylamino)ethylazaniumyl]acetate
CID 28897496
2-[3-(diethylamino)propyl-(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)acetamide
CID 10047882
2-[2-aminoethyl(ethyl)amino]ethanethiol
CID 145098138
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
decane-1-thiol acetate
CID 22212628

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);2-(diethylamino)ethanethiol;diacetate?
The IUPAC name of cadmium(2+);2-(diethylamino)ethanethiol;diacetate (CID 157171436) is cadmium(2+);2-(diethylamino)ethanethiol;diacetate.
What is the SMILES notation for cadmium(2+);2-(diethylamino)ethanethiol;diacetate?
The canonical SMILES for cadmium(2+);2-(diethylamino)ethanethiol;diacetate is CC(=O)[O-].CC(=O)[O-].CCN(CC)CCS.[Cd+2].
What is the InChIKey of cadmium(2+);2-(diethylamino)ethanethiol;diacetate?
The InChIKey is ANMYPDVXRYKWTK-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H15NS.2C2H4O2.Cd/c1-3-7(4-2)5-6-8;2*1-2(3)4;/h8H,3-6H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of cadmium(2+);2-(diethylamino)ethanethiol;diacetate?
cadmium(2+);2-(diethylamino)ethanethiol;diacetate has a molecular weight of 363.76 g/mol, XLogP of -1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);2-(diethylamino)ethanethiol;diacetate is sourced from PubChem (CID 157171436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).