CAS
92501-74-1 Purity
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92501-74-1 Purity
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Ethyl (2Z)-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CAS
92503-35-0
Catalog Number
ACM92503350
Category
Other Products
Molecular Weight
294.165480 [g/mol]
Molecular Formula
C9H12BrNO3S
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Specification
Synonyms
MolPort-002-468-947, ZINC04206407, ZINC04206408, CID4962347, 92503-35-0
IUPAC Name
ethyl 2-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate
Canonical SMILES
CCOC(=O)C=C1N(C(=O)CS1)CCBr
InChI Key
XTXPYSSPMHXYKG-UHFFFAOYSA-N
Boiling Point
436.6ºC at 760mmHg
Flash Point
217.8ºC
Density
1.632g/cm³
Exact Mass
292.97200
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of ethyl (2Z)-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The molecular formula is C9H12BrNO3S.
What is the molecular weight of ethyl (2Z)-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The molecular weight is 294.17 g/mol.
What is the IUPAC name of ethyl (2Z)-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name is ethyl (2Z)-2-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the InChI of ethyl (2Z)-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChI is InChI=1S/C9H12BrNO3S/c1-2-14-9(13)5-8-11(4-3-10)7(12)6-15-8/h5H,2-4,6H2,1H3/b8-5-.
What is the InChIKey of ethyl (2Z)-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is XTXPYSSPMHXYKG-YVMONPNESA-N.
What is the canonical SMILES of ethyl (2Z)-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES is CCOC(=O)C=C1N(C(=O)CS1)CCBr.
What is the isomeric SMILES of ethyl (2Z)-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The isomeric SMILES is CCOC(=O)/C=C\1/N(C(=O)CS1)CCBr.
What is the XLogP3-AA of ethyl (2Z)-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The XLogP3-AA is 1.4.
What is the hydrogen bond donor count of ethyl (2Z)-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The hydrogen bond donor count is 0.
What is the hydrogen bond acceptor count of ethyl (2Z)-[3-(2-bromoethyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The hydrogen bond acceptor count is 4.
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