bis(N,N-diethylcarbamodithioate);tin(2+);chloride

C10H20ClN2S4Sn- — CID 21124785

IUPACbis(N,N-diethylcarbamodithioate);tin(2+);chloride
SMILESCCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cl-].[Sn+2]
InChIInChI=1S/2C5H11NS2.ClH.Sn/c2*1-3-6(4-2)5(7)8;;/h2*3-4H2,1-2H3,(H,7,8);1H;/q;;;+2/p-3
InChIKeyJERLPXJRDKOHGV-UHFFFAOYSA-K
MW450.72 g/mol
LogP-1.06
Rot. Bonds4

About bis(N,N-diethylcarbamodithioate);tin(2+);chloride

bis(N,N-diethylcarbamodithioate);tin(2+);chloride (PubChem CID 21124785) has the molecular formula C10H20ClN2S4Sn- and a molecular weight of 450.72 g/mol. Its IUPAC name is bis(N,N-diethylcarbamodithioate);tin(2+);chloride.

Molecular Properties

Compound Namebis(N,N-diethylcarbamodithioate);tin(2+);chloride
PubChem CID21124785
Molecular FormulaC10H20ClN2S4Sn-
Molecular Weight450.72 g/mol
Exact Mass450.92
IUPAC Namebis(N,N-diethylcarbamodithioate);tin(2+);chloride
SMILESCCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cl-].[Sn+2]
InChIInChI=1S/2C5H11NS2.ClH.Sn/c2*1-3-6(4-2)5(7)8;;/h2*3-4H2,1-2H3,(H,7,8);1H;/q;;;+2/p-3
InChIKeyJERLPXJRDKOHGV-UHFFFAOYSA-K
XLogP-1.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.72
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

bis(N,N-diethylcarbamodithioate);tin(4+);chloride
CID 21124784
N,N-diethylcarbamodithioate
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CID 171395735
tris(N,N-diethylcarbamodithioate);ruthenium(3+)
CID 101036652
CID 19880505
CID 19880505
tetrakis(N,N-diethylcarbamodithioate);triiodomolybdenum
CID 5149899
zinc;N,N-diethylcarbamodithioate;diethylcarbamodithioic acid
CID 160652871
tetrakis(N,N-diethylcarbamodithioate);oxo(oxomolybdeniooxy)molybdenum;dihydrochloride
CID 10975026
CID 6330230
CID 6330230
CID 6330227
CID 6330227
sodium;N,N-diethylcarbamodithioate;2-phenylethylbenzene
CID 154941220
sodium N,N-dipropylcarbamodithioate
CID 539731

Frequently Asked Questions

What is the IUPAC name of bis(N,N-diethylcarbamodithioate);tin(2+);chloride?
The IUPAC name of bis(N,N-diethylcarbamodithioate);tin(2+);chloride (CID 21124785) is bis(N,N-diethylcarbamodithioate);tin(2+);chloride.
What is the SMILES notation for bis(N,N-diethylcarbamodithioate);tin(2+);chloride?
The canonical SMILES for bis(N,N-diethylcarbamodithioate);tin(2+);chloride is CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Cl-].[Sn+2].
What is the InChIKey of bis(N,N-diethylcarbamodithioate);tin(2+);chloride?
The InChIKey is JERLPXJRDKOHGV-UHFFFAOYSA-K. The full InChI is InChI=1S/2C5H11NS2.ClH.Sn/c2*1-3-6(4-2)5(7)8;;/h2*3-4H2,1-2H3,(H,7,8);1H;/q;;;+2/p-3.
What are the key properties of bis(N,N-diethylcarbamodithioate);tin(2+);chloride?
bis(N,N-diethylcarbamodithioate);tin(2+);chloride has a molecular weight of 450.72 g/mol, XLogP of -1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-diethylcarbamodithioate);tin(2+);chloride is sourced from PubChem (CID 21124785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).