CAS
94109-65-6 Purity
96%
94109-65-6 Purity
96%
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N-(6-Ethoxybenzothiazol-2-yl)-2-mercaptoacetamide
CAS
94109-71-4
Catalog Number
ACM94109714
Category
Other Products
Molecular Weight
268.355180 [g/mol]
Molecular Formula
C11H12N2O2S2
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Specification
Synonyms
EINECS 302-511-7, CID3023608, N-(6-Ethoxybenzothiazol-2-yl)-2-mercaptoacetamide, 94109-71-4
IUPAC Name
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-sulfanylacetamide
Canonical SMILES
CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CS
InChI Key
PENUZPQXEOSXGJ-UHFFFAOYSA-N
Density
1.384g/cm³
EC Number
302-511-7
Exact Mass
268.03400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular weight of N-(6-Ethoxybenzothiazol-2-yl)-2-mercaptoacetamide?
The molecular weight is 268.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-sulfanylacetamide.
What is the InChIKey of the compound?
The InChIKey is PENUZPQXEOSXGJ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is "CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CS".
What is the XLogP3 value of the compound?
The XLogP3 value is 2.9.
How many hydrogen bond donor counts are there in the compound?
There are 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are there in the compound?
There are 5 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 80.5 Ų.
How many rotatable bond counts are there in the compound?
There are 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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94109-79-2 Purity
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94109-79-2 Purity
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