dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate

C14H28N2S4 — CID 17368

IUPACdipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate
SMILESCCCN(CCC)C(=S)SSC(=S)N(CCC)CCC
InChIInChI=1S/C14H28N2S4/c1-5-9-15(10-6-2)13(17)19-20-14(18)16(11-7-3)12-8-4/h5-12H2,1-4H3
InChIKeyICEXLMACENYGPP-UHFFFAOYSA-N
MW352.66 g/mol
LogP5.18
Rot. Bonds8

About dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate

dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate (PubChem CID 17368) has the molecular formula C14H28N2S4 and a molecular weight of 352.66 g/mol. Its IUPAC name is dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate.

Molecular Properties

Compound Namedipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate
PubChem CID17368
Molecular FormulaC14H28N2S4
Molecular Weight352.66 g/mol
Exact Mass352.11
IUPAC Namedipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate
SMILESCCCN(CCC)C(=S)SSC(=S)N(CCC)CCC
InChIInChI=1S/C14H28N2S4/c1-5-9-15(10-6-2)13(17)19-20-14(18)16(11-7-3)12-8-4/h5-12H2,1-4H3
InChIKeyICEXLMACENYGPP-UHFFFAOYSA-N
XLogP5.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.66
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate?
The IUPAC name of dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate (CID 17368) is dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate.
What is the SMILES notation for dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate?
The canonical SMILES for dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate is CCCN(CCC)C(=S)SSC(=S)N(CCC)CCC.
What is the InChIKey of dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate?
The InChIKey is ICEXLMACENYGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S4/c1-5-9-15(10-6-2)13(17)19-20-14(18)16(11-7-3)12-8-4/h5-12H2,1-4H3.
What are the key properties of dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate?
dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate has a molecular weight of 352.66 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylcarbamothioylsulfanyl N,N-dipropylcarbamodithioate is sourced from PubChem (CID 17368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).