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4,5-Dihydro-2-[(4-isothiocyanatophenyl)methyl]-1H-imidazole

4,5-Dihydro-2-[(4-isothiocyanatophenyl)methyl]-1H-imidazole structure

CAS No:
130262-94-1
Formula:
C11H11N3S
Chemical Name:
4,5-Dihydro-2-[(4-isothiocyanatophenyl)methyl]-1H-imidazole
Synonyms:
1H-Imidazole,4,5-dihydro-2-[(4-isothiocyanatophenyl)methyl]-;4,5-Dihydro-2-[(4-isothiocyanatophenyl)methyl]-1H-imidazole

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4,5-Dihydro-2-[(4-isothiocyanatophenyl)methyl]-1H-imidazole Basic Attributes

Molecular Weight：

217.29 g/mol

Exact Mass：

217.29

DSSTox ID：

DTXSID80156433

Characteristics

PSA：

68.8 Å²

Drug Information

MeSH Entry Terms：

2-(4'-isothiocyanatobenzyl)imidazoline

Computed Properties

Molecular Weight:217.29
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:217.06736854
Monoisotopic Mass:217.06736854
Topological Polar Surface Area:68.8
Heavy Atom Count:15
Complexity:286
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,5-Dihydro-2-[(4-isothiocyanatophenyl)methyl]-1H-imidazole

Basic Attributes
Characteristics
Drug Information
Computed Properties

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