(2,2-Dimethyl-1,3-dithiolan-4-yl)methanol

HCID 21893

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

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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