2-Isopropyl-1,3-dithiolane
Basic information
- CAS
26733-24-4- Standard SMILES
CC(C)C1SCCS1- InChIKey
CMOLCULWXQDIMM-UHFFFAOYSA-N- Molecular formula
- C6H12S2
- Average molar mass
- 148.3 g/mol
- Monoisotopic mass
- 148.03804273
Names & identifiers
- Preferred name
- 2-Isopropyl-1,3-dithiolane
- IUPAC
- 2-propan-2-yl-1,3-dithiolane
Names & synonyms
2-Isopropyl-1,3-dithiolane1,3-DITHIOLANE, 2-ISOPROPYL-26733-24-4N1LQ3M3CQTNSC-193356NSC 193356BRN 14209612-isopropyl-[1,3]dithiolane2-(propan-2-yl)-1,3-dithiolaneNSC193356UNII-N1LQ3M3CQTSCHEMBL3091772
Show more names
SCHEMBL9672763DTXSID20181244CMOLCULWXQDIMM-UHFFFAOYSA-N2-(1-methylethyl)-1,3-dithiolane1,3-Dithiolane, 2-(1-methylethyl)-
Database identifiers
- CAS
26733-24-4- PubChem CID
- 33589
- DTXSID
DTXSID20181244- UNII
- N1LQ3M3CQT
- Nikkaji
- J91.164J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 64.9
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Compound notes
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