2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum

C9H18MoNS2- — CID 174981832

IUPAC2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum
SMILESCC(C)C[N-]C(=S)SCC(C)C.[Mo]
InChIInChI=1S/C9H19NS2.Mo/c1-7(2)5-10-9(11)12-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,10,11);/p-1
InChIKeyFVOXHUNPFROTBI-UHFFFAOYSA-M
MW300.32 g/mol
LogP3.69
Rot. Bonds4

About 2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum

2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum (PubChem CID 174981832) has the molecular formula C9H18MoNS2- and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum.

Molecular Properties

Compound Name2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum
PubChem CID174981832
Molecular FormulaC9H18MoNS2-
Molecular Weight300.32 g/mol
Exact Mass301.99
IUPAC Name2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum
SMILESCC(C)C[N-]C(=S)SCC(C)C.[Mo]
InChIInChI=1S/C9H19NS2.Mo/c1-7(2)5-10-9(11)12-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,10,11);/p-1
InChIKeyFVOXHUNPFROTBI-UHFFFAOYSA-M
XLogP3.69
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.69
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
2-methylpropyl N,N-dimethylcarbamodithioate
CID 524154
2-methylpropyl N-aminocarbamodithioate
CID 55280604
2-methylpropyl N-(2-methylpropyl)carbamodithioate;zinc
CID 137373020
potassium 2-methylpropylsulfanylmethanethioate
CID 23716794
lithium 2-methylpropyl(2-oxopropanoyl)azanide
CID 143020801
methyl 2-methylpropylsulfanylformate
CID 178163148
2-methylpropyl N'-methylcarbamimidothioate
CID 126994362
2-methylpropyl N'-propan-2-ylcarbamimidothioate;hydrochloride
CID 131224139
2-methyl-2-(2-methylpropylsulfanylcarbothioylsulfanyl)-N-propan-2-ylpropanamide
CID 101393638
N-[2-(2-methylpropylsulfanyl)prop-1-enyl]methanimine;rhenium
CID 171620972
3-(2-methylpropylsulfanyl)azetidine
CID 62784262

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum?
The IUPAC name of 2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum (CID 174981832) is 2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum.
What is the SMILES notation for 2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum?
The canonical SMILES for 2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum is CC(C)C[N-]C(=S)SCC(C)C.[Mo].
What is the InChIKey of 2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum?
The InChIKey is FVOXHUNPFROTBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NS2.Mo/c1-7(2)5-10-9(11)12-6-8(3)4;/h7-8H,5-6H2,1-4H3,(H,10,11);/p-1.
What are the key properties of 2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum?
2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum has a molecular weight of 300.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl(2-methylpropylsulfanylcarbothioyl)azanide;molybdenum is sourced from PubChem (CID 174981832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).