sodium;hydride;octyl carbamodithioate

C9H20NNaS2 — CID 175140209

IUPACsodium;hydride;octyl carbamodithioate
SMILESCCCCCCCCSC(N)=S.[H-].[Na+]
InChIInChI=1S/C9H19NS2.Na.H/c1-2-3-4-5-6-7-8-12-9(10)11;;/h2-8H2,1H3,(H2,10,11);;/q;+1;-1
InChIKeyPNHYGBCPOGUZTC-UHFFFAOYSA-N
MW229.39 g/mol
LogP0.44
Rot. Bonds7

About sodium;hydride;octyl carbamodithioate

sodium;hydride;octyl carbamodithioate (PubChem CID 175140209) has the molecular formula C9H20NNaS2 and a molecular weight of 229.39 g/mol. Its IUPAC name is sodium;hydride;octyl carbamodithioate.

Molecular Properties

Compound Namesodium;hydride;octyl carbamodithioate
PubChem CID175140209
Molecular FormulaC9H20NNaS2
Molecular Weight229.39 g/mol
Exact Mass229.09
IUPAC Namesodium;hydride;octyl carbamodithioate
SMILESCCCCCCCCSC(N)=S.[H-].[Na+]
InChIInChI=1S/C9H19NS2.Na.H/c1-2-3-4-5-6-7-8-12-9(10)11;;/h2-8H2,1H3,(H2,10,11);;/q;+1;-1
InChIKeyPNHYGBCPOGUZTC-UHFFFAOYSA-N
XLogP0.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptyl carbamodithioate
CID 3738854
CID 159121999
CID 159121999
4-carbamothioylsulfanylbutyl carbamodithioate;copper
CID 87342350
magnesium;hydride;propyl carbamodithioate
CID 174927157
sodium dodecylsulfanylmethanedithioic acid
CID 54607026
CID 158814138
CID 158814138
methanol;propyl carbamodithioate
CID 174248667
pentyl ethanedithioate
CID 157162445
docosyl 2-hydroxyethanedithioate
CID 174514377
octyl nonanedithioate
CID 3826272
hexyl carbamimidothioate;thiourea;hydrobromide
CID 159769059
O-octyl octylsulfanylmethanethioate
CID 5142489

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;octyl carbamodithioate?
The IUPAC name of sodium;hydride;octyl carbamodithioate (CID 175140209) is sodium;hydride;octyl carbamodithioate.
What is the SMILES notation for sodium;hydride;octyl carbamodithioate?
The canonical SMILES for sodium;hydride;octyl carbamodithioate is CCCCCCCCSC(N)=S.[H-].[Na+].
What is the InChIKey of sodium;hydride;octyl carbamodithioate?
The InChIKey is PNHYGBCPOGUZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2.Na.H/c1-2-3-4-5-6-7-8-12-9(10)11;;/h2-8H2,1H3,(H2,10,11);;/q;+1;-1.
What are the key properties of sodium;hydride;octyl carbamodithioate?
sodium;hydride;octyl carbamodithioate has a molecular weight of 229.39 g/mol, XLogP of 0.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;octyl carbamodithioate is sourced from PubChem (CID 175140209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).