sodium N,N-dihexylcarbamodithioate

C13H26NNaS2 — CID 23671974

IUPACsodium N,N-dihexylcarbamodithioate
SMILESCCCCCCN(CCCCCC)C(=S)[S-].[Na+]
InChIInChI=1S/C13H27NS2.Na/c1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2;/h3-12H2,1-2H3,(H,15,16);/q;+1/p-1
InChIKeyQEXSIPMRPUULGY-UHFFFAOYSA-M
MW283.48 g/mol
LogP1.28
Rot. Bonds10

About sodium N,N-dihexylcarbamodithioate

sodium N,N-dihexylcarbamodithioate (PubChem CID 23671974) has the molecular formula C13H26NNaS2 and a molecular weight of 283.48 g/mol. Its IUPAC name is sodium N,N-dihexylcarbamodithioate.

Molecular Properties

Compound Namesodium N,N-dihexylcarbamodithioate
PubChem CID23671974
Molecular FormulaC13H26NNaS2
Molecular Weight283.48 g/mol
Exact Mass283.14
IUPAC Namesodium N,N-dihexylcarbamodithioate
SMILESCCCCCCN(CCCCCC)C(=S)[S-].[Na+]
InChIInChI=1S/C13H27NS2.Na/c1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2;/h3-12H2,1-2H3,(H,15,16);/q;+1/p-1
InChIKeyQEXSIPMRPUULGY-UHFFFAOYSA-M
XLogP1.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

CID 22164562
CID 22164562
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
bis(N,N-dipentylcarbamodithioate);zinc
CID 3544047
hexakis(N,N-di(tridecyl)carbamodithioate);molybdenum;sulfur monoxide
CID 19708628
tetrakis(N,N-didecylcarbamodithioate);tris(oxomolybdenum(4+));tetrasulfide
CID 22989162
Bis(dibutyldithiocarbamato-S,S')copper
CID 156614044
bis(N,N-dibutylcarbamodithioate);nickel(2+)
CID 4523766
cerium(3+);tris(N,N-dibutylcarbamodithioate)
CID 141342374
N,N-dibutylcarbamodithioate;ethane;nickel(2+)
CID 162055102
zinc;2-(dipentylamino)ethanedithioate;N,N-dipentylcarbamodithioate
CID 523463

Frequently Asked Questions

What is the IUPAC name of sodium N,N-dihexylcarbamodithioate?
The IUPAC name of sodium N,N-dihexylcarbamodithioate (CID 23671974) is sodium N,N-dihexylcarbamodithioate.
What is the SMILES notation for sodium N,N-dihexylcarbamodithioate?
The canonical SMILES for sodium N,N-dihexylcarbamodithioate is CCCCCCN(CCCCCC)C(=S)[S-].[Na+].
What is the InChIKey of sodium N,N-dihexylcarbamodithioate?
The InChIKey is QEXSIPMRPUULGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H27NS2.Na/c1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2;/h3-12H2,1-2H3,(H,15,16);/q;+1/p-1.
What are the key properties of sodium N,N-dihexylcarbamodithioate?
sodium N,N-dihexylcarbamodithioate has a molecular weight of 283.48 g/mol, XLogP of 1.28, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N,N-dihexylcarbamodithioate is sourced from PubChem (CID 23671974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).