(diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate

C10H20N2S6 — CID 54321887

IUPAC(diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SSSSC(=S)N(CC)CC
InChIInChI=1S/C10H20N2S6/c1-5-11(6-2)9(13)15-17-18-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeySSFWRALQHVKBRP-UHFFFAOYSA-N
MW360.69 g/mol
LogP4.92
Rot. Bonds7

About (diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate

(diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate (PubChem CID 54321887) has the molecular formula C10H20N2S6 and a molecular weight of 360.69 g/mol. Its IUPAC name is (diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name(diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate
PubChem CID54321887
Molecular FormulaC10H20N2S6
Molecular Weight360.69 g/mol
Exact Mass360.00
IUPAC Name(diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SSSSC(=S)N(CC)CC
InChIInChI=1S/C10H20N2S6/c1-5-11(6-2)9(13)15-17-18-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
InChIKeySSFWRALQHVKBRP-UHFFFAOYSA-N
XLogP4.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.69
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold
CID 87918592
diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;bis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate)
CID 174871842
S-(diethylcarbamothioylsulfanyl) N,N-diethylcarbamothioate
CID 122489157
dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
CID 90091780
bis(diethylcarbamothioylsulfanyl)lead
CID 16685131
phenylsulfanyl N,N-diethylcarbamodithioate
CID 134989434
[diethylcarbamothioylsulfanyl(iodo)bismuthanyl] N,N-diethylcarbamodithioate
CID 6329123
1,1-diethylthiourea;λ2-plumbane
CID 173060169
3-hydroxypropyl N,N-diethylcarbamodithioate
CID 16726125
bis(N,N-diethylcarbamodithioate);tin(4+);chloride
CID 21124784
[tert-butyl(dimethyl)silyl] N,N-diethylcarbamodithioate
CID 91733838
4-(diethylcarbamothioyldisulfanyl)benzoic acid
CID 46197115

Frequently Asked Questions

What is the IUPAC name of (diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate?
The IUPAC name of (diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate (CID 54321887) is (diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate.
What is the SMILES notation for (diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate?
The canonical SMILES for (diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate is CCN(CC)C(=S)SSSSC(=S)N(CC)CC.
What is the InChIKey of (diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate?
The InChIKey is SSFWRALQHVKBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S6/c1-5-11(6-2)9(13)15-17-18-16-10(14)12(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of (diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate?
(diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate has a molecular weight of 360.69 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate is sourced from PubChem (CID 54321887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).