CAS
98408-17-4 Purity
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98408-17-4 Purity
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(1-Benzyl-2-sulfanyl-1H-imidazol-5-yl)methanol
CAS
98412-23-8
Catalog Number
ACM98412238
Category
Other Products
Molecular Weight
220.29
Molecular Formula
C11H12N2OS
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Specification
Synonyms
98412-23-8, (1-Benzyl-2-sulfanyl-1h-imidazol-5-yl)methanol, (1-Benzyl-2-mercapto-1H-imidazol-5-yl)methanol, (1-benzyl-2-sulphanyl-1H-imidazol-5-yl)methanol, F2135-0328, ZINC00161848, AC1MCW5P, Maybridge4_002813, SureCN7165398, CTK3I6556, IIQWCVZBUKMFBS-UHFFFAOYSA-, MolPort-001-764-641, HMS1528P19, AKOS005208154, AB11311, AG-H-99506, MCULE-9107253446, IDI1_032691, KB-62507, (3-benzyl-2-sulfanylimidazol-4-yl)methanol
IUPAC Name
3-benzyl-4-(hydroxymethyl)-1H-imidazole-2-thione
Canonical SMILES
C1=CC=C(C=C1)CN2C(=CNC2=S)CO
InChI Key
IIQWCVZBUKMFBS-UHFFFAOYSA-N
Boiling Point
388.4ºC at 760 mmHg
Melting Point
238ºC
Flash Point
188.7ºC
Density
1.34g/cm³
Exact Mass
220.06700
H-Bond Acceptor
2
H-Bond Donor
2
Safety Description
S24/25
What is the molecular formula of the compound with the PubChem CID 2779712?
The molecular formula is C11H12N2OS.
What are some synonyms for the compound with the PubChem CID 2779712?
Some synonyms include (1-Benzyl-2-sulfanyl-1H-imidazol-5-yl)methanol and 3-benzyl-4-(hydroxymethyl)-1H-imidazole-2-thione.
When was the compound with the PubChem CID 2779712 created and last modified?
It was created on 2005-07-19 and last modified on 2023-12-30.
What is the InChIKey of the compound with the PubChem CID 2779712?
The InChIKey is IIQWCVZBUKMFBS-UHFFFAOYSA-N.
What is the molecular weight of the compound with the PubChem CID 2779712?
The molecular weight is 220.29 g/mol.
How many hydrogen bond donor count does the compound with the PubChem CID 2779712 have?
It has 2 hydrogen bond donor counts.
What is the value of XLogP3-AA for the compound with the PubChem CID 2779712?
The value of XLogP3-AA is 0.5.
What is the topological polar surface area of the compound with the PubChem CID 2779712?
The topological polar surface area is 67.6 Ų
How many rotatable bond count does the compound with the PubChem CID 2779712 have?
It has 3 rotatable bond counts.
Is the compound with the PubChem CID 2779712 canonicalized?
Yes, the compound is canonicalized.
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