2,4,4-Trimethylpent-2-yl dithiobenzoate

HCID 9856622
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Basic information

CAS
201611-86-1
Standard SMILES
CC(C)(C)CC(C)(C)SC(=S)c1ccccc1
InChIKey
WTJNIKFLROSWDK-UHFFFAOYSA-N
Molecular formula
C15H22S2
Average molar mass
266.5 g/mol
Monoisotopic mass
266.1162927

Names & identifiers

Preferred name
2,4,4-Trimethylpent-2-yl dithiobenzoate
IUPAC
2,4,4-trimethylpentan-2-yl benzenecarbodithioate

Names & synonyms

2,4,4-trimethylpent-2-yl dithiobenzoate201611-86-1SCHEMBL1630732,4,4-TRIMETHYLPENTAN-2-YL BENZENECARBODITHIOATEDTXSID70431882WTJNIKFLROSWDK-UHFFFAOYSA-N

Database identifiers

CAS
201611-86-1
PubChem CID
9856622
DTXSID
DTXSID70431882
Nikkaji
J1.367.754I

Properties

Computed structural propertiesFilling in

XLogP
5.6
Topological polar surface area
57.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
17

Related reactions

5 records
New reaction record

Compound notes

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