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2-benzyl-1,3-dithiane

2-benzyl-1,3-dithiane structure

CAS No:
31593-52-9
Formula:
C11H14S2
Chemical Name:
2-benzyl-1,3-dithiane
Synonyms:
2-Benzyl-1,3-dithiane;31593-52-9;1,3-Dithiane, 2-(phenylmethyl)-;NSC174639;benzyl(1,3-dithiane);1,3-Dithiane, 2-benzyl;2-Benzyl-1,3-dithiane #;2-Phenylmethyl-1,3-dithiane;SCHEMBL3090521;DTXSID30306209;ZINC1711530;NSC-174639;10.14272/NBGQAPJQVZTDQE-UHFFFAOYSA-N;doi:10.14272/NBGQAPJQVZTDQE-UHFFFAOYSA-N

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2-benzyl-1,3-dithiane Basic Attributes

Molecular Weight：

210.4 g/mol

Exact Mass：

210.05369279 g/mol

NSC Number：

174639

DSSTox ID：

DTXSID30306209

Characteristics

PSA：

50.6 Å²

Computed Properties

Molecular Weight:210.4
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:210.05369279
Monoisotopic Mass:210.05369279
Topological Polar Surface Area:50.6
Heavy Atom Count:13
Complexity:135
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-benzyl-1,3-dithiane

Basic Attributes
Characteristics
Computed Properties

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