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7-benzyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione

7-benzyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione structure

CAS No:
27042-79-1
Formula:
C16H15N5O2S
Chemical Name:
7-benzyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione
Synonyms:
27042-79-1;NSC137469;7-benzyl-8-(isothiocyanatomethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione;DTXSID10300528;ZINC1723113;NSC-137469;A818954;8-(isothiocyanatomethyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

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7-benzyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione Basic Attributes

Molecular Weight：

341.4 g/mol

Exact Mass：

341.09464591 g/mol

NSC Number：

137469

DSSTox ID：

DTXSID10300528

Characteristics

PSA：

103 Å²

Computed Properties

Molecular Weight:341.4
XLogP3:2.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:341.09464591
Monoisotopic Mass:341.09464591
Topological Polar Surface Area:103
Heavy Atom Count:24
Complexity:559
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-benzyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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