CAS
93839-15-7 Purity
96%
93839-15-7 Purity
96%
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4,5-Dihydro-3-methyl-2-[3-(3-methylthiazolidin-2-ylidene)prop-1-enyl]thiazolium methyl sulfate
CAS
93839-22-6
Catalog Number
ACM93839226
Category
Other Products
Molecular Weight
352.493200 [g/mol]
Molecular Formula
C11H17N2S2.CH3O4S
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Specification
Synonyms
EINECS 298-792-8, 4,5-Dihydro-3-methyl-2-(3-(3-methylthiazolidin-2-ylidene)prop-1-enyl)thiazolium methyl sulphate, 93839-22-6
IUPAC Name
(2E)-3-methyl-2-[(E)-3-(3-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-1,3-thiazolidine; methyl sulfate
Canonical SMILES
CN1CCSC1=CC=CC2=[N+](CCS2)C.COS(=O)(=O)[O-]
InChI Key
GWUOMGWFFISCCU-UHFFFAOYSA-M
EC Number
298-792-8
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 44153084?
The molecular formula is C12H20N2O4S3.
What are the synonyms of the compound with PubChem CID 44153084?
The synonyms are EINECS 298-792-8, 93839-22-6, 4,5-Dihydro-3-methyl-2-(3-(3-methylthiazolidin-2-ylidene)prop-1-enyl)thiazolium methyl sulphate, and 4,5-Dihydro-3-methyl-2-[3-(3-methylthiazolidin-2-ylidene)prop-1-enyl]thiazolium methyl sulfate.
What is the molecular weight of the compound with PubChem CID 44153084?
The molecular weight is 352.5 g/mol.
How many component compounds are present in the structure of the compound with PubChem CID 44153084?
There are two component compounds present.
What is the InChI key of the compound with PubChem CID 44153084?
The InChI key is GWUOMGWFFISCCU-UHFFFAOYSA-M.
What is the Canonical SMILES representation of the compound with PubChem CID 44153084?
The Canonical SMILES is CN1CCSC1=CC=CC2=[N+](CCS2)C.COS(=O)(=O)[O-].
How many hydrogen bond donor counts are there in the compound with PubChem CID 44153084?
There are 0 hydrogen bond donor counts.
What is the exact mass of the compound with PubChem CID 44153084?
The exact mass is 352.05852064 g/mol.
How many defined bond stereocenter counts are present in the compound with PubChem CID 44153084?
There are 2 defined bond stereocenter counts.
Is the compound with PubChem CID 44153084 canonicalized?
Yes, the compound is canonicalized.
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CAS
93839-23-7 Purity
96%
93839-23-7 Purity
96%
