dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine

C10H23N3S4 — CID 174654493

IUPACdimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine
SMILESCCNCC.CN(C)C(=S)SSC(=S)N(C)C
InChIInChI=1S/C6H12N2S4.C4H11N/c1-7(2)5(9)11-12-6(10)8(3)4;1-3-5-4-2/h1-4H3;5H,3-4H2,1-2H3
InChIKeyAONABPWSXYDYPB-UHFFFAOYSA-N
MW313.58 g/mol
LogP2.68
Rot. Bonds2

About dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine

dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine (PubChem CID 174654493) has the molecular formula C10H23N3S4 and a molecular weight of 313.58 g/mol. Its IUPAC name is dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine.

Molecular Properties

Compound Namedimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine
PubChem CID174654493
Molecular FormulaC10H23N3S4
Molecular Weight313.58 g/mol
Exact Mass313.08
IUPAC Namedimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine
SMILESCCNCC.CN(C)C(=S)SSC(=S)N(C)C
InChIInChI=1S/C6H12N2S4.C4H11N/c1-7(2)5(9)11-12-6(10)8(3)4;1-3-5-4-2/h1-4H3;5H,3-4H2,1-2H3
InChIKeyAONABPWSXYDYPB-UHFFFAOYSA-N
XLogP2.68
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol
CID 174806939
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;silane
CID 174934589
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol
CID 174924399
diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate;bis(dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate)
CID 174871842
[dimethylamino-(methylidene-λ4-sulfanylidene)methyl]sulfanyl N,N-dimethylcarbamodithioate
CID 88951144
dimethylcarbamothioic S-acid;N-ethylethanamine
CID 174845481
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
CID 88798392
dimethylsilane;N-ethylethanamine
CID 158306099
diethylcarbamodithioic acid;N-ethylethanamine
CID 15201
dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane
CID 88689851
N,N-dichloromethanamine;N-ethylethanamine;hydrochloride
CID 174965794

Frequently Asked Questions

What is the IUPAC name of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine?
The IUPAC name of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine (CID 174654493) is dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine.
What is the SMILES notation for dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine?
The canonical SMILES for dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine is CCNCC.CN(C)C(=S)SSC(=S)N(C)C.
What is the InChIKey of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine?
The InChIKey is AONABPWSXYDYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S4.C4H11N/c1-7(2)5(9)11-12-6(10)8(3)4;1-3-5-4-2/h1-4H3;5H,3-4H2,1-2H3.
What are the key properties of dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine?
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine has a molecular weight of 313.58 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;N-ethylethanamine is sourced from PubChem (CID 174654493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).