Basic information
- CAS
5694-47-3- Standard SMILES
CC1(C)SCC(CO)S1- InChIKey
MPNNLCONPWKVOX-UHFFFAOYSA-N- Molecular formula
- C6H12OS2
- Average molar mass
- 164.3 g/mol
- Monoisotopic mass
- 164.03295735
Names & identifiers
- Preferred name
- (2,2-Dimethyl-1,3-dithiolan-4-yl)methanol
- IUPAC
- (2,2-dimethyl-1,3-dithiolan-4-yl)methanol
- English name
- 2,2-Dimethyl-1,3-dithiolane-4-methanol
- Molecular formula
- C6H12OS2
- Molecular weight
- 164.29
Names & synonyms
(2,2-dimethyl-1,3-dithiolan-4-yl)methanol5694-47-3DTXSID30972382RefChem:1049578DTXCID5013998552,2-Dimethyl-1,3-dithiolane-4-methanolBRN 01045132,2-Dimethyl-4-hydroxymethyl-1,3-dithiolane1,3-DITHIOLANE-4-METHANOL, 2,2-DIMETHYL-2,2-Dimethyl-4-hydroxymethyl-1,3-dithiolan5-19-02-00379 (Beilstein Handbook Reference)SCHEMBL2369369
Show more names
MPNNLCONPWKVOX-UHFFFAOYSA-NAKOS024328881AT32503(2,2-Dimethyl-1,3-dithiolan-4-yl)methan-1-ol
Database identifiers
- CAS
5694-47-3- PubChem CID
- 21893
- DTXSID
DTXSID30972382- Nikkaji
- J91.167D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Chemistry & industry
Suppliers2 total
赛诺威(厦门)科技有限公司请加微信(同手机号)或QQ询价 13876246362 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
4 records
Compound notes
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