CAS
94386-39-7 Purity
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94386-39-7 Purity
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![Disodium 3-[[4-(acetylamino)phenyl]azo]-4-amino-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulfonate](https://resource.alfa-chemistry.com/structure/94386-47-7.gif)
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3-Allyl-5-[2-chloro-4-(3-methylbenzothiazol-2(3H)-ylidene)but-2-enylidene]-2-thioxothiazolidin-4-one
CAS
94386-44-4
Catalog Number
ACM94386444
Category
Other Products
Molecular Weight
406.972500 [g/mol]
Molecular Formula
C18H15ClN2OS3
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Specification
Synonyms
EINECS 305-266-4, CID6445547, 3-Allyl-5-(2-chloro-4-(3-methylbenzothiazol-2(3H)-ylidene)but-2-enylidene)-2-thioxothiazolidin-4-one, 94386-44-4
IUPAC Name
(5E)-5-[(Z,4E)-2-chloro-4-(3-methyl-1,3-benzothiazol-2-ylidene)but-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI Key
GGZCNFWOKAWLEU-ICKKNVMRSA-N
Boiling Point
420.2ºC at 760mmHg
Flash Point
207.9ºC
Density
1.46g/cm³
Exact Mass
406.00400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 6445547?
The molecular formula is C18H15ClN2OS3.
What is the synonym for the compound with PubChem CID 6445547?
The synonym is 3-ALLYL-5-[2-CHLORO-4-(3-METHYLBENZOTHIAZOL-2(3H)-YLIDENE)BUT-2-ENYLIDENE]-2-THIOXOTHIAZOLIDIN-4-ONE.
What is the molecular weight of the compound with PubChem CID 6445547?
The molecular weight is 407.0 g/mol.
What is the Canonical SMILES representation of the compound with PubChem CID 6445547?
CN1C2=CC=CC=C2SC1=CC=C(C=C3C(=O)N(C(S)S3)CC=C)Cl
How many hydrogen bond acceptors does the compound with PubChem CID 6445547 have?
It has 5 hydrogen bond acceptors.
What is the Exact Mass of the compound with PubChem CID 6445547?
The Exact Mass is 406.0035043 g/mol.
Does the compound with PubChem CID 6445547 have any defined atom stereocenter count?
No, it has 0 defined atom stereocenter count.
How many rotatable bonds does the compound with PubChem CID 6445547 have?
It has 4 rotatable bonds.
What is the XLogP3-AA value for the compound with PubChem CID 6445547?
The XLogP3-AA value is 5.5.
Is the compound with PubChem CID 6445547 canonicalized?
Yes, the compound is canonicalized.
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CAS
94386-43-3 Purity
96%
94386-43-3 Purity
96%
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