lithium;butyl N-butylcarbamodithioate;hydride

C9H20LiNS2 — CID 175317251

IUPAClithium;butyl N-butylcarbamodithioate;hydride
SMILESCCCCNC(=S)SCCCC.[H-].[Li+]
InChIInChI=1S/C9H19NS2.Li.H/c1-3-5-7-10-9(11)12-8-6-4-2;;/h3-8H2,1-2H3,(H,10,11);;/q;+1;-1
InChIKeyLZYGLLWEPBOQNW-UHFFFAOYSA-N
MW213.34 g/mol
LogP0.31
Rot. Bonds6

About lithium;butyl N-butylcarbamodithioate;hydride

lithium;butyl N-butylcarbamodithioate;hydride (PubChem CID 175317251) has the molecular formula C9H20LiNS2 and a molecular weight of 213.34 g/mol. Its IUPAC name is lithium;butyl N-butylcarbamodithioate;hydride.

Molecular Properties

Compound Namelithium;butyl N-butylcarbamodithioate;hydride
PubChem CID175317251
Molecular FormulaC9H20LiNS2
Molecular Weight213.34 g/mol
Exact Mass213.12
IUPAC Namelithium;butyl N-butylcarbamodithioate;hydride
SMILESCCCCNC(=S)SCCCC.[H-].[Li+]
InChIInChI=1S/C9H19NS2.Li.H/c1-3-5-7-10-9(11)12-8-6-4-2;;/h3-8H2,1-2H3,(H,10,11);;/q;+1;-1
InChIKeyLZYGLLWEPBOQNW-UHFFFAOYSA-N
XLogP0.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 50.31
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

butyl N-butylcarbamodithioate;tungsten
CID 174676976
pentyl N-pentylcarbamodithioate;zinc
CID 175108822
dodecyl N-dodecylcarbamodithioate;iron
CID 175497864
octyl N-(3-triethoxysilylpropyl)carbamodithioate
CID 20568269
N-butylcarbamothioyl chloride
CID 135275967
1-butyl-3-(butylcarbamothioylamino)thiourea
CID 5386096
CID 159121999
CID 159121999
1-butyl-3-heptylthiourea
CID 19650868
N-butyl-3-(butylamino)-3-sulfanylidenepropanamide
CID 121220053
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-butyl-3-(3-hydroxypropyl)thiourea
CID 127063787
N-butylheptanethioamide
CID 88529052

Frequently Asked Questions

What is the IUPAC name of lithium;butyl N-butylcarbamodithioate;hydride?
The IUPAC name of lithium;butyl N-butylcarbamodithioate;hydride (CID 175317251) is lithium;butyl N-butylcarbamodithioate;hydride.
What is the SMILES notation for lithium;butyl N-butylcarbamodithioate;hydride?
The canonical SMILES for lithium;butyl N-butylcarbamodithioate;hydride is CCCCNC(=S)SCCCC.[H-].[Li+].
What is the InChIKey of lithium;butyl N-butylcarbamodithioate;hydride?
The InChIKey is LZYGLLWEPBOQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2.Li.H/c1-3-5-7-10-9(11)12-8-6-4-2;;/h3-8H2,1-2H3,(H,10,11);;/q;+1;-1.
What are the key properties of lithium;butyl N-butylcarbamodithioate;hydride?
lithium;butyl N-butylcarbamodithioate;hydride has a molecular weight of 213.34 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butyl N-butylcarbamodithioate;hydride is sourced from PubChem (CID 175317251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).