CAS
93152-95-5 Purity
96%
93152-95-5 Purity
96%
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2-Mercapto-4,5,6,7-d4-benzimidazole
CAS
931581-17-8
Catalog Number
ACM931581178
Category
Other Products
Molecular Weight
154.23
Molecular Formula
C7H2D4N2S
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Specification
Synonyms
1,3-Dihydro-2H-benzimidazole-2-thione-4,5,6,7-d4; o-Phenylenethiourea-d4; Permanax 21-d4; Sandant MB-d4; Benzimidazolin-2-thione-d4; Antioxidant MB-d4; 2-Mercaptobenzimidazole-d4;
IUPAC Name
4,5,6,7-tetradeuterio-1,3-dihydrobenzimidazole-2-thione
Canonical SMILES
C1=CC=C2C(=C1)NC(=S)N2
InChI Key
YHMYGUUIMTVXNW-RHQRLBAQSA-N
Appearance
White Crystalline Solid
Exact Mass
154.05000
H-Bond Acceptor
1
H-Bond Donor
2
What is the molecular formula of 2-Mercapto-4,5,6,7-d4-benzimidazole?
The molecular formula is C7H6N2S.
When was 2-Mercapto-4,5,6,7-d4-benzimidazole created and last modified?
It was created on 2010-03-29 and last modified on 2023-12-30.
What is the IUPAC Name of 2-Mercapto-4,5,6,7-d4-benzimidazole?
The IUPAC Name is 4,5,6,7-tetradeuterio-1,3-dihydrobenzimidazole-2-thione.
What is the InChIKey of 2-Mercapto-4,5,6,7-d4-benzimidazole?
The InChIKey is YHMYGUUIMTVXNW-RHQRLBAQSA-N.
What is the Canonical SMILES of 2-Mercapto-4,5,6,7-d4-benzimidazole?
The Canonical SMILES is C1=CC=C2C(=C1)NC(=S)N2.
What is the molecular weight of 2-Mercapto-4,5,6,7-d4-benzimidazole?
The molecular weight is 154.23 g/mol.
How many hydrogen bond donor counts does 2-Mercapto-4,5,6,7-d4-benzimidazole have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of 2-Mercapto-4,5,6,7-d4-benzimidazole?
The topological polar surface area is 56.2 Ų.
How many heavy atoms are present in 2-Mercapto-4,5,6,7-d4-benzimidazole?
There are 10 heavy atoms.
Is 2-Mercapto-4,5,6,7-d4-benzimidazole canonicalized?
Yes, it is canonicalized.
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