4,4-Dimethylthiochroman

HCID 11019430CAS 66165-06-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)CCSc2ccccc21
InChIKey
UKTQYFIDMREWNQ-UHFFFAOYSA-N
Molecular formula
C11H14S
Average molar mass
178.3 g/mol
Monoisotopic mass
178.08162145

Names & identifiers

Preferred name
4,4-Dimethylthiochroman
IUPAC
4,4-dimethyl-2,3-dihydrothiochromene
English name
4,4-Dimethyl-thiochroman
Molecular formula
C11H14S
Molecular weight
178.29

Names & synonyms

4,4-dimethylthiochroman66165-06-8DTXSID90452079RefChem:285054DTXCID504028984,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran4,4-DIMETHYL-THIOCHROMAN4,4-dimethyl-2,3-dihydrothiochromeneMFCD098334334,4-dimethylthiochromane4,4-DimethythiochromanSCHEMBL1649848
Show more names
4,4-dimethyl-2,3-dihydro-1-benzothiopyran3,4-DIHYDRO-4,4-DIMETHYL-2H-1-BENZOTHIOPYRAN2H-1-Benzothiopyran, 3,4-dihydro-4,4-dimethyl-
SCHEMBL6350813SCHEMBL7473532SCHEMBL9192247UKTQYFIDMREWNQ-UHFFFAOYSA-NAKOS006328738AS-199763,4-dihydro-4,4-dimethyl 2H-1-benzothiopyranF329586

Database identifiers

CAS
66165-06-8
PubChem CID
11019430
DTXSID
DTXSID90452079
Nikkaji
J1.457.060H

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
25.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

storage temp.
2 · 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers16 total

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]

Related reactions

35 records
New reaction record

Linked notes

Loading…