sodium N,N-dipropylcarbamodithioate

C7H14NNaS2 — CID 539731

IUPACsodium N,N-dipropylcarbamodithioate
SMILESCCCN(CCC)C(=S)[S-].[Na+]
InChIInChI=1S/C7H15NS2.Na/c1-3-5-8(6-4-2)7(9)10;/h3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyILNWEIMZWZNAKF-UHFFFAOYSA-M
MW199.32 g/mol
LogP-1.06
Rot. Bonds4

About sodium N,N-dipropylcarbamodithioate

sodium N,N-dipropylcarbamodithioate (PubChem CID 539731) has the molecular formula C7H14NNaS2 and a molecular weight of 199.32 g/mol. Its IUPAC name is sodium N,N-dipropylcarbamodithioate.

Molecular Properties

Compound Namesodium N,N-dipropylcarbamodithioate
PubChem CID539731
Molecular FormulaC7H14NNaS2
Molecular Weight199.32 g/mol
Exact Mass199.05
IUPAC Namesodium N,N-dipropylcarbamodithioate
SMILESCCCN(CCC)C(=S)[S-].[Na+]
InChIInChI=1S/C7H15NS2.Na/c1-3-5-8(6-4-2)7(9)10;/h3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyILNWEIMZWZNAKF-UHFFFAOYSA-M
XLogP-1.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

disodium;bis(N,N-dipropylcarbamodithioate);trihydrate
CID 159566089
sodium N,N-dihexylcarbamodithioate
CID 23671974
Bis(dibutyldithiocarbamato-S,S')copper
CID 156614044
bis(N,N-dibutylcarbamodithioate);nickel(2+)
CID 4523766
cerium(3+);tris(N,N-dibutylcarbamodithioate)
CID 141342374
bis(N,N-dipentylcarbamodithioate);zinc
CID 3544047
CID 22164562
CID 22164562
N,N-diethylcarbamodithioate
CID 28343
N,N-dibutylcarbamodithioate;ethane;nickel(2+)
CID 162055102
tetrakis(N,N-di(tetradecyl)carbamodithioate);molybdenum(4+)
CID 139855060
hexakis(N,N-dihexylcarbamodithioate);molybdenum
CID 18926193
tetrakis(N-dodecyl-N-hexadecylcarbamodithioate);molybdenum(4+)
CID 141332595

Frequently Asked Questions

What is the IUPAC name of sodium N,N-dipropylcarbamodithioate?
The IUPAC name of sodium N,N-dipropylcarbamodithioate (CID 539731) is sodium N,N-dipropylcarbamodithioate.
What is the SMILES notation for sodium N,N-dipropylcarbamodithioate?
The canonical SMILES for sodium N,N-dipropylcarbamodithioate is CCCN(CCC)C(=S)[S-].[Na+].
What is the InChIKey of sodium N,N-dipropylcarbamodithioate?
The InChIKey is ILNWEIMZWZNAKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15NS2.Na/c1-3-5-8(6-4-2)7(9)10;/h3-6H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of sodium N,N-dipropylcarbamodithioate?
sodium N,N-dipropylcarbamodithioate has a molecular weight of 199.32 g/mol, XLogP of -1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N,N-dipropylcarbamodithioate is sourced from PubChem (CID 539731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).