methyl N-(3-trifluorosilylpropyl)carbamodithioate

C5H10F3NS2Si — CID 174136031

IUPACmethyl N-(3-trifluorosilylpropyl)carbamodithioate
SMILESCSC(=S)NCCC[Si](F)(F)F
InChIInChI=1S/C5H10F3NS2Si/c1-11-5(10)9-3-2-4-12(6,7)8/h2-4H2,1H3,(H,9,10)
InChIKeyMEWQYIGKNWUWGT-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.46
Rot. Bonds4

About methyl N-(3-trifluorosilylpropyl)carbamodithioate

methyl N-(3-trifluorosilylpropyl)carbamodithioate (PubChem CID 174136031) has the molecular formula C5H10F3NS2Si and a molecular weight of 233.36 g/mol. Its IUPAC name is methyl N-(3-trifluorosilylpropyl)carbamodithioate.

Molecular Properties

Compound Namemethyl N-(3-trifluorosilylpropyl)carbamodithioate
PubChem CID174136031
Molecular FormulaC5H10F3NS2Si
Molecular Weight233.36 g/mol
Exact Mass233.00
IUPAC Namemethyl N-(3-trifluorosilylpropyl)carbamodithioate
SMILESCSC(=S)NCCC[Si](F)(F)F
InChIInChI=1S/C5H10F3NS2Si/c1-11-5(10)9-3-2-4-12(6,7)8/h2-4H2,1H3,(H,9,10)
InChIKeyMEWQYIGKNWUWGT-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 2754715
methyl N-(3-methoxypropyl)carbamodithioate
CID 23324215
methyl N-(2-methylsulfanylethyl)carbamodithioate
CID 20526585
carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate
CID 58312456
methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 71750713
potassium 5-(methylsulfanylcarbothioylamino)pentane-1-sulfonate
CID 23718527
3-trifluorosilylpropylurea
CID 174136032
methyl N-[2-[(2-methylpropan-2-yl)oxy]ethyl]carbamodithioate
CID 54386052
methyl N-[3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propyl]carbamodithioate
CID 155628475
bismuthane;methyl N-methylcarbamodithioate
CID 174491363
3-trimethoxysilylpropylcarbamodithioic acid
CID 14513088
butyl N-butylcarbamodithioate;tungsten
CID 174676976

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-trifluorosilylpropyl)carbamodithioate?
The IUPAC name of methyl N-(3-trifluorosilylpropyl)carbamodithioate (CID 174136031) is methyl N-(3-trifluorosilylpropyl)carbamodithioate.
What is the SMILES notation for methyl N-(3-trifluorosilylpropyl)carbamodithioate?
The canonical SMILES for methyl N-(3-trifluorosilylpropyl)carbamodithioate is CSC(=S)NCCC[Si](F)(F)F.
What is the InChIKey of methyl N-(3-trifluorosilylpropyl)carbamodithioate?
The InChIKey is MEWQYIGKNWUWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NS2Si/c1-11-5(10)9-3-2-4-12(6,7)8/h2-4H2,1H3,(H,9,10).
What are the key properties of methyl N-(3-trifluorosilylpropyl)carbamodithioate?
methyl N-(3-trifluorosilylpropyl)carbamodithioate has a molecular weight of 233.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-trifluorosilylpropyl)carbamodithioate is sourced from PubChem (CID 174136031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).