methylsulfanylcarbonyl methylsulfanylformate

C4H6O3S2 — CID 175457935

IUPACmethylsulfanylcarbonyl methylsulfanylformate
SMILESCSC(=O)OC(=O)SC
InChIInChI=1S/C4H6O3S2/c1-8-3(5)7-4(6)9-2/h1-2H3
InChIKeyAFKOWJJRIZDYMB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.97
Rot. Bonds

About methylsulfanylcarbonyl methylsulfanylformate

methylsulfanylcarbonyl methylsulfanylformate (PubChem CID 175457935) has the molecular formula C4H6O3S2 and a molecular weight of 166.22 g/mol. Its IUPAC name is methylsulfanylcarbonyl methylsulfanylformate.

Molecular Properties

Compound Namemethylsulfanylcarbonyl methylsulfanylformate
PubChem CID175457935
Molecular FormulaC4H6O3S2
Molecular Weight166.22 g/mol
Exact Mass165.98
IUPAC Namemethylsulfanylcarbonyl methylsulfanylformate
SMILESCSC(=O)OC(=O)SC
InChIInChI=1S/C4H6O3S2/c1-8-3(5)7-4(6)9-2/h1-2H3
InChIKeyAFKOWJJRIZDYMB-UHFFFAOYSA-N
XLogP1.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

trimethylsilyl methylsulfanylformate
CID 57061767
methylsulfanylmethanethioic S-acid
CID 13063886
[acetyl(ethyl)amino] methylsulfanylformate
CID 90714758
[1-cyano-2,2-bis(methylsulfanyl)ethenyl] acetate
CID 14471276
(2-methylcyclohexyl) methylsulfanylformate
CID 162486245
sodium methylsulfanylmethanethioate
CID 23687617
dimethyl 2,3-bis(methylsulfanyl)but-2-enedioate
CID 54027121
(2-methylthiophen-3-yl) methylsulfanylformate
CID 59552954
2,2-difluoro-4-methyl-3-methylsulfanylcarbonyloxypentanoic acid
CID 168744782
1,3-dimethylurea;methane;S-methyl N-methylcarbamothioate
CID 162094080
(Z)-4-methyl-5-methylsulfanylhex-4-en-3-one
CID 15571015
(Z)-4-methoxy-3-methyl-4-methylsulfanylbut-3-en-2-one
CID 11094929

Frequently Asked Questions

What is the IUPAC name of methylsulfanylcarbonyl methylsulfanylformate?
The IUPAC name of methylsulfanylcarbonyl methylsulfanylformate (CID 175457935) is methylsulfanylcarbonyl methylsulfanylformate.
What is the SMILES notation for methylsulfanylcarbonyl methylsulfanylformate?
The canonical SMILES for methylsulfanylcarbonyl methylsulfanylformate is CSC(=O)OC(=O)SC.
What is the InChIKey of methylsulfanylcarbonyl methylsulfanylformate?
The InChIKey is AFKOWJJRIZDYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3S2/c1-8-3(5)7-4(6)9-2/h1-2H3.
What are the key properties of methylsulfanylcarbonyl methylsulfanylformate?
methylsulfanylcarbonyl methylsulfanylformate has a molecular weight of 166.22 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylcarbonyl methylsulfanylformate is sourced from PubChem (CID 175457935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).