2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc

C9H19NS2Zn — CID 137373020

IUPAC2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc
SMILESCC(C)CNC(=S)SCC(C)C.[Zn]
InChIInChI=1S/C9H19NS2.Zn/c1-7(2)5-10-9(11)12-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,10,11);
InChIKeyTWARFSHITYOYRY-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.90
Rot. Bonds4

About 2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc

2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc (PubChem CID 137373020) has the molecular formula C9H19NS2Zn and a molecular weight of 270.78 g/mol. Its IUPAC name is 2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc.

Molecular Properties

Compound Name2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc
PubChem CID137373020
Molecular FormulaC9H19NS2Zn
Molecular Weight270.78 g/mol
Exact Mass269.03
IUPAC Name2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc
SMILESCC(C)CNC(=S)SCC(C)C.[Zn]
InChIInChI=1S/C9H19NS2.Zn/c1-7(2)5-10-9(11)12-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,10,11);
InChIKeyTWARFSHITYOYRY-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl N-aminocarbamodithioate
CID 55280604
2-methylpropylsulfanylmethanedithioic acid
CID 15919791
2-methylpropyl N,N-dimethylcarbamodithioate
CID 524154
ethyl N-[2-(propanoylamino)propyl]carbamodithioate
CID 59072300
1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 5061824
1,1,3-tris(2-methylpropyl)thiourea
CID 19653244
2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum
CID 174981832
1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea
CID 115629343
1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea
CID 115662944
methyl 2-methylpropylsulfanylformate
CID 178163148
1-methyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)thiourea
CID 115591638
1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea
CID 115593471

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc?
The IUPAC name of 2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc (CID 137373020) is 2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc.
What is the SMILES notation for 2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc?
The canonical SMILES for 2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc is CC(C)CNC(=S)SCC(C)C.[Zn].
What is the InChIKey of 2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc?
The InChIKey is TWARFSHITYOYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2.Zn/c1-7(2)5-10-9(11)12-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,10,11);.
What are the key properties of 2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc?
2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc has a molecular weight of 270.78 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc is sourced from PubChem (CID 137373020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).