CAS
91972-45-1 Purity
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91972-45-1 Purity
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Acetamide,N-(4-formyl-2-thiazolyl)-N-phenyl-
CAS
91973-74-9
Catalog Number
ACM91973749
Category
Other Products
Molecular Weight
246.285
Molecular Formula
C12H10N2O2S
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Specification
Synonyms
MolPort-002-466-724, ZINC00382975, CID848604, PB-90348753, AO-350/41831013, N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide, 91973-74-9
IUPAC Name
N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide
Canonical SMILES
CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C=O
InChI Key
UPSVWABECCOHRT-UHFFFAOYSA-N
Boiling Point
405.1ºC at 760mmHg
Flash Point
198.8ºC
Density
1.353g/cm³
Exact Mass
246.04600
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 848604?
The molecular formula is C12H10N2O2S.
What are the synonyms of the compound with PubChem CID 848604?
The synonyms are N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide, 91973-74-9, N-(4-Formylthiazol-2-yl)-N-phenylacetamide, DTXSID10357254, AKOS000118547, and more.
What is the molecular weight of the compound with PubChem CID 848604?
The molecular weight is 246.29 g/mol.
What is the IUPAC name of the compound with PubChem CID 848604?
The IUPAC name is N-(4-formyl-1,3-thiazol-2-yl)-N-phenylacetamide.
What is the InChI of the compound with PubChem CID 848604?
The InChI is InChI=1S/C12H10N2O2S/c1-9(16)14(11-5-3-2-4-6-11)12-13-10(7-15)8-17-12/h2-8H,1H3.
What is the InChIKey of the compound with PubChem CID 848604?
The InChIKey is UPSVWABECCOHRT-UHFFFAOYSA-N.
What is the canonical SMILES of the compound with PubChem CID 848604?
The canonical SMILES is CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)C=O.
What is the CAS number of the compound with PubChem CID 848604?
The CAS number is 91973-74-9.
What is the XLogP3-AA value of the compound with PubChem CID 848604?
The XLogP3-AA value is 2.
Is the compound with PubChem CID 848604 a canonicalized compound?
Yes, the compound is canonicalized according to PubChem.
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