trimethylsilyl methylsulfanylformate

C5H12O2SSi — CID 57061767

IUPACtrimethylsilyl methylsulfanylformate
SMILESCSC(=O)O[Si](C)(C)C
InChIInChI=1S/C5H12O2SSi/c1-8-5(6)7-9(2,3)4/h1-4H3
InChIKeyDSWDPYMEFGUPRF-UHFFFAOYSA-N
MW164.30 g/mol
LogP2.32
Rot. Bonds1

About trimethylsilyl methylsulfanylformate

trimethylsilyl methylsulfanylformate (PubChem CID 57061767) has the molecular formula C5H12O2SSi and a molecular weight of 164.30 g/mol. Its IUPAC name is trimethylsilyl methylsulfanylformate.

Molecular Properties

Compound Nametrimethylsilyl methylsulfanylformate
PubChem CID57061767
Molecular FormulaC5H12O2SSi
Molecular Weight164.30 g/mol
Exact Mass164.03
IUPAC Nametrimethylsilyl methylsulfanylformate
SMILESCSC(=O)O[Si](C)(C)C
InChIInChI=1S/C5H12O2SSi/c1-8-5(6)7-9(2,3)4/h1-4H3
InChIKeyDSWDPYMEFGUPRF-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methylsulfanylcarbonyl methylsulfanylformate
CID 175457935
trimethyl-(2-methyl-1-methylsulfanylprop-1-enoxy)silane
CID 11074219
trimethylsilyl 2-oxopropanoate
CID 554459
4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane
CID 12616820
trimethylsilyl N,N-bis(trimethylsilyl)carbamate
CID 91719351
trimethylsilyl 2-fluoroacetate
CID 123819311
bis(trimethylsilyl) (1S,2R,5R,6S,7R,8R)-tricyclo[4.2.2.02,5]deca-3,9-diene-7,8-dicarboxylate
CID 124783515
bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate
CID 523360
1-chloroethenoxy(trimethyl)silane
CID 175502754
trimethylsilyl (Z)-2-methyl-3-trimethylsilyloxybut-2-enoate
CID 5352679
trimethylsilyl 3-trimethylsilylsulfanylpropanoate
CID 637748
tris(trimethylsilyl) propane-1,1,2-tricarboxylate
CID 553637

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl methylsulfanylformate?
The IUPAC name of trimethylsilyl methylsulfanylformate (CID 57061767) is trimethylsilyl methylsulfanylformate.
What is the SMILES notation for trimethylsilyl methylsulfanylformate?
The canonical SMILES for trimethylsilyl methylsulfanylformate is CSC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl methylsulfanylformate?
The InChIKey is DSWDPYMEFGUPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2SSi/c1-8-5(6)7-9(2,3)4/h1-4H3.
What are the key properties of trimethylsilyl methylsulfanylformate?
trimethylsilyl methylsulfanylformate has a molecular weight of 164.30 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl methylsulfanylformate is sourced from PubChem (CID 57061767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).