2-methylpropyl N,N-dimethylcarbamodithioate

C7H15NS2 — CID 524154

IUPAC2-methylpropyl N,N-dimethylcarbamodithioate
SMILESCC(C)CSC(=S)N(C)C
InChIInChI=1S/C7H15NS2/c1-6(2)5-10-7(9)8(3)4/h6H,5H2,1-4H3
InChIKeyAXYGKMMVBLDPMQ-UHFFFAOYSA-N
MW177.34 g/mol
LogP2.22
Rot. Bonds2

About 2-methylpropyl N,N-dimethylcarbamodithioate

2-methylpropyl N,N-dimethylcarbamodithioate (PubChem CID 524154) has the molecular formula C7H15NS2 and a molecular weight of 177.34 g/mol. Its IUPAC name is 2-methylpropyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name2-methylpropyl N,N-dimethylcarbamodithioate
PubChem CID524154
Molecular FormulaC7H15NS2
Molecular Weight177.34 g/mol
Exact Mass177.06
IUPAC Name2-methylpropyl N,N-dimethylcarbamodithioate
SMILESCC(C)CSC(=S)N(C)C
InChIInChI=1S/C7H15NS2/c1-6(2)5-10-7(9)8(3)4/h6H,5H2,1-4H3
InChIKeyAXYGKMMVBLDPMQ-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropylsulfanylmethanedithioic acid
CID 15919791
dimethylcarbamothioyl N,N-dimethylcarbamodithioate;sulfane
CID 88689851
2-methylpropyl N-aminocarbamodithioate
CID 55280604
pentyl N,N-dimethylcarbamodithioate
CID 174553292
methylsulfinylmethyl N,N-dimethylcarbamodithioate
CID 134917440
dimethylcarbamothioylsulfanylmethanesulfonate
CID 23517441
2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc
CID 137373020
2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum
CID 174981832
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;silane
CID 174934589
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;methanol
CID 174924399
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate;ethanol
CID 174806939
[2-(dimethylcarbamothioylsulfanylmethyl)-3-oxo-3-(1H-pyrrol-2-yl)propyl] N,N-dimethylcarbamodithioate
CID 73388876

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N,N-dimethylcarbamodithioate?
The IUPAC name of 2-methylpropyl N,N-dimethylcarbamodithioate (CID 524154) is 2-methylpropyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for 2-methylpropyl N,N-dimethylcarbamodithioate?
The canonical SMILES for 2-methylpropyl N,N-dimethylcarbamodithioate is CC(C)CSC(=S)N(C)C.
What is the InChIKey of 2-methylpropyl N,N-dimethylcarbamodithioate?
The InChIKey is AXYGKMMVBLDPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS2/c1-6(2)5-10-7(9)8(3)4/h6H,5H2,1-4H3.
What are the key properties of 2-methylpropyl N,N-dimethylcarbamodithioate?
2-methylpropyl N,N-dimethylcarbamodithioate has a molecular weight of 177.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 524154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).