chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride

C8H19Cl3CrNS2 — CID 139119576

IUPACchromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
SMILESCCSCCNCCSCC.[Cl-].[Cl-].[Cl-].[Cr+3]
InChIInChI=1S/C8H19NS2.3ClH.Cr/c1-3-10-7-5-9-6-8-11-4-2;;;;/h9H,3-8H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyTXOPBJPCMATJKV-UHFFFAOYSA-K
MW351.74 g/mol
LogP-6.91
Rot. Bonds8

About chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride

chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride (PubChem CID 139119576) has the molecular formula C8H19Cl3CrNS2 and a molecular weight of 351.74 g/mol. Its IUPAC name is chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride.

Molecular Properties

Compound Namechromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
PubChem CID139119576
Molecular FormulaC8H19Cl3CrNS2
Molecular Weight351.74 g/mol
Exact Mass349.94
IUPAC Namechromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
SMILESCCSCCNCCSCC.[Cl-].[Cl-].[Cl-].[Cr+3]
InChIInChI=1S/C8H19NS2.3ClH.Cr/c1-3-10-7-5-9-6-8-11-4-2;;;;/h9H,3-8H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyTXOPBJPCMATJKV-UHFFFAOYSA-K
XLogP-6.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 5-6.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 104668793
N-(2-ethylsulfanylethyl)hexan-1-amine
CID 62578167
2-ethylsulfanyl-N-(2-methylsulfinylethyl)ethanamine
CID 104668633
N-(2-ethylsulfanylethyl)pent-3-yn-1-amine
CID 116643789
6-(2-ethylsulfanylethylamino)hexan-1-ol
CID 104668755
2-ethylsulfanyl-N-methylethanamine
CID 18683899
N-(2-ethylsulfanylethyl)-2-propan-2-yloxyethanamine
CID 104669061
N-(cyclopropylmethyl)-2-ethylsulfanylethanamine
CID 62578386
2-but-3-enoxy-N-(2-ethylsulfanylethyl)ethanamine
CID 104668737
N-[(1-ethylcyclopropyl)methyl]-2-ethylsulfanylethanamine
CID 104668675
N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529596

Frequently Asked Questions

What is the IUPAC name of chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride?
The IUPAC name of chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride (CID 139119576) is chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride.
What is the SMILES notation for chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride?
The canonical SMILES for chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride is CCSCCNCCSCC.[Cl-].[Cl-].[Cl-].[Cr+3].
What is the InChIKey of chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride?
The InChIKey is TXOPBJPCMATJKV-UHFFFAOYSA-K. The full InChI is InChI=1S/C8H19NS2.3ClH.Cr/c1-3-10-7-5-9-6-8-11-4-2;;;;/h9H,3-8H2,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride?
chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride has a molecular weight of 351.74 g/mol, XLogP of -6.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride is sourced from PubChem (CID 139119576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).