CAS
93839-16-8 Purity
96%
93839-16-8 Purity
96%
![4,5-Dihydro-3-methyl-2-[3-(3-methylthiazolidin-2-ylidene)prop-1-enyl]thiazolium methyl sulfate](https://resource.alfa-chemistry.com/structure/93839-22-6.gif)
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3-Allyl-5-[(1-methylpyrrolidin-2-ylidene)ethylidene]-2-thioxooxazolidin-4-one
CAS
93839-23-7
Catalog Number
ACM93839237
Category
Other Products
Molecular Weight
264.343340 [g/mol]
Molecular Formula
C13H16N2O2S
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Specification
Synonyms
EINECS 298-793-3, 3-Allyl-5-((1-methylpyrrolidin-2-ylidene)ethylidene)-2-thioxooxazolidin-4-one, 93839-23-7
IUPAC Name
(5E)-5-[(2Z)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one
InChI Key
MIMXHVDWSFTTPH-NAKBGQTNSA-N
Boiling Point
342.5ºC at 760mmHg
Flash Point
160.9ºC
Density
1.26g/cm³
Exact Mass
264.09300
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C13H16N2O2S.
What are the synonyms of the compound?
The synonyms of the compound are 93839-23-7, EINECS 298-793-3, and 3-ALLYL-5-[(1-METHYLPYRROLIDIN-2-YLIDENE)ETHYLIDENE]-2-THIOXOOXAZOLIDIN-4-ONE.
What is the molecular weight of the compound?
The molecular weight of the compound is 264.35 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (5E)-5-[(2Z)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C13H16N2O2S/c1-3-8-15-12(16)11(17-13(15)18)7-6-10-5-4-9-14(10)2/h3,6-7H,1,4-5,8-9H2,2H3/b10-6-,11-7+.
What is the InChIKey of the compound?
The InChIKey of the compound is MIMXHVDWSFTTPH-NAKBGQTNSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CN1CCCC1=CC=C2C(=O)N(C(=S)O2)CC=C.
What is the isomeric SMILES of the compound?
The isomeric SMILES of the compound is CN\1CCC/C1=C/C=C/2\C(=O)N(C(=S)O2)CC=C.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.4.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 0.
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