Basic information
- CAS
21777-32-2- Standard SMILES
CCCCCC1SCCCS1- InChIKey
IEZIRVFWMLLTLQ-UHFFFAOYSA-N- Molecular formula
- C9H18S2
- Average molar mass
- 190.4 g/mol
- Monoisotopic mass
- 190.08499292
Overview
structure given in first source
Names & identifiers
- Preferred name
- Hexanal-1,3-dithiane
- IUPAC
- 2-pentyl-1,3-dithiane
- English name
- hexanal-1,3-dithiane
- Molecular formula
- C9H18S2
- Molecular weight
- 190.37
Names & synonyms
Hexanal-1,3-dithiane21777-32-2DTXSID60176179RefChem:146102DTXCID10986702-Pentyl-1,3-dithiane1,3-Dithiane, 2-pentyl-2-pentyl-[1,3]dithiane2-Pentyl-1,3-dithiane #SCHEMBL8047846IEZIRVFWMLLTLQ-UHFFFAOYSA-N1,3-Dithiacyclohexane, 2-pentyl-
Show more names
H42834
Database identifiers
- CAS
21777-32-2- PubChem CID
- 577255
- DTXSID
DTXSID60176179- Nikkaji
- J1.396.257J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 87.6
Physicochemical properties
- LogP
- 4.303 · 4.303 (est)
Chemistry & industry
Suppliers4 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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