dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate

C28H56N4S8 — CID 90091780

IUPACdibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC.CCN(CC)C(=S)SSC(=S)N(CC)CC
InChIInChI=1S/C18H36N2S4.C10H20N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4;1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-16H2,1-4H3;5-8H2,1-4H3
InChIKeyAYNMRMSZLAGHEC-UHFFFAOYSA-N
MW705.32 g/mol
LogP10.36
Rot. Bonds16

About dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate

dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate (PubChem CID 90091780) has the molecular formula C28H56N4S8 and a molecular weight of 705.32 g/mol. Its IUPAC name is dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Namedibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
PubChem CID90091780
Molecular FormulaC28H56N4S8
Molecular Weight705.32 g/mol
Exact Mass704.23
IUPAC Namedibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
SMILESCCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC.CCN(CC)C(=S)SSC(=S)N(CC)CC
InChIInChI=1S/C18H36N2S4.C10H20N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4;1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-16H2,1-4H3;5-8H2,1-4H3
InChIKeyAYNMRMSZLAGHEC-UHFFFAOYSA-N
XLogP10.36
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.32
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate with MolForge

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Related Compounds

diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;gold
CID 87918592
[butyl(3,3,3-tricyanopropyl)carbamothioyl]sulfanyl N,N-dibutylcarbamodithioate
CID 89363296
diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;bis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate)
CID 174871842
(diethylcarbamothioyltrisulfanyl) N,N-diethylcarbamodithioate
CID 54321887
S-(diethylcarbamothioylsulfanyl) N,N-diethylcarbamothioate
CID 122489157
1,1-dibutylthiourea;zinc
CID 175070562
zinc;bis(dibutylcarbamothioylsulfanyl)lead;bis(N,N-dibutylcarbamodithioate)
CID 162392913
N,N-dibutylpropanethioamide
CID 45118577
Bis(dibutyldithiocarbamato-S,S')copper
CID 156614044
bis(N,N-dibutylcarbamodithioate);nickel(2+)
CID 4523766
cerium(3+);tris(N,N-dibutylcarbamodithioate)
CID 141342374
O-propyl N-butyl-N-ethylcarbamothioate
CID 19870866

Frequently Asked Questions

What is the IUPAC name of dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate?
The IUPAC name of dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate (CID 90091780) is dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate.
What is the SMILES notation for dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate?
The canonical SMILES for dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate is CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC.CCN(CC)C(=S)SSC(=S)N(CC)CC.
What is the InChIKey of dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate?
The InChIKey is AYNMRMSZLAGHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2S4.C10H20N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4;1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-16H2,1-4H3;5-8H2,1-4H3.
What are the key properties of dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate?
dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate has a molecular weight of 705.32 g/mol, XLogP of 10.36, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dibutylcarbamothioylsulfanyl N,N-dibutylcarbamodithioate;diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 90091780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).