lithium;bis(O-butyl carbamothioate);hydride

C10H23LiN2O2S2 — CID 175317253

IUPAClithium;bis(O-butyl carbamothioate);hydride
SMILESCCCCOC(N)=S.CCCCOC(N)=S.[H-].[Li+]
InChIInChI=1S/2C5H11NOS.Li.H/c2*1-2-3-4-7-5(6)8;;/h2*2-4H2,1H3,(H2,6,8);;/q;;+1;-1
InChIKeyIGIOLLMHHURFNI-UHFFFAOYSA-N
MW274.38 g/mol
LogP-0.79
Rot. Bonds6

About lithium;bis(O-butyl carbamothioate);hydride

lithium;bis(O-butyl carbamothioate);hydride (PubChem CID 175317253) has the molecular formula C10H23LiN2O2S2 and a molecular weight of 274.38 g/mol. Its IUPAC name is lithium;bis(O-butyl carbamothioate);hydride.

Molecular Properties

Compound Namelithium;bis(O-butyl carbamothioate);hydride
PubChem CID175317253
Molecular FormulaC10H23LiN2O2S2
Molecular Weight274.38 g/mol
Exact Mass274.14
IUPAC Namelithium;bis(O-butyl carbamothioate);hydride
SMILESCCCCOC(N)=S.CCCCOC(N)=S.[H-].[Li+]
InChIInChI=1S/2C5H11NOS.Li.H/c2*1-2-3-4-7-5(6)8;;/h2*2-4H2,1H3,(H2,6,8);;/q;;+1;-1
InChIKeyIGIOLLMHHURFNI-UHFFFAOYSA-N
XLogP-0.79
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

magnesium;bis(O-butyl carbamothioate);hydride
CID 173071453
sodium;bis(O-dodecyl carbamothioate);hydride
CID 175497862
sodium;bis(O-hexyl carbamothioate);hydride
CID 173450210
O-butyl carbamothioate;O-propan-2-yl carbamothioate
CID 175047915
O-pentyl carbamothioate;phosphenous acid
CID 174969907
carbamothioic S-acid;O-hexyl carbamothioate
CID 87854692
calcium;butoxymethanedithioic acid;hydride
CID 173442028
bis(butoxymethanedithioate);palladium(2+)
CID 141393221
2-butoxyethanethioamide
CID 43267695
O-(4-methylpentyl) carbamothioate
CID 87854691
CID 54759029
CID 54759029
CID 87593749
CID 87593749

Frequently Asked Questions

What is the IUPAC name of lithium;bis(O-butyl carbamothioate);hydride?
The IUPAC name of lithium;bis(O-butyl carbamothioate);hydride (CID 175317253) is lithium;bis(O-butyl carbamothioate);hydride.
What is the SMILES notation for lithium;bis(O-butyl carbamothioate);hydride?
The canonical SMILES for lithium;bis(O-butyl carbamothioate);hydride is CCCCOC(N)=S.CCCCOC(N)=S.[H-].[Li+].
What is the InChIKey of lithium;bis(O-butyl carbamothioate);hydride?
The InChIKey is IGIOLLMHHURFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NOS.Li.H/c2*1-2-3-4-7-5(6)8;;/h2*2-4H2,1H3,(H2,6,8);;/q;;+1;-1.
What are the key properties of lithium;bis(O-butyl carbamothioate);hydride?
lithium;bis(O-butyl carbamothioate);hydride has a molecular weight of 274.38 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(O-butyl carbamothioate);hydride is sourced from PubChem (CID 175317253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).