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5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione structure

CAS No:
74051-76-6
Formula:
C12H8N2O4S
Chemical Name:
5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Synonyms:
5-(1,3-benzodioxal-5'-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione; 5-Piperonyliden-2-thio-barbitursaeure; 5-Piperonylidene-2-thiobarbituric acid; 5-(3,4-methenedioxyphenyl)methylenethiobarbituric acid; Barbituric acid,5-piperonylidene-2-thio; 2(5H)-Pyrimidinethione,4,6-dihydroxy-S-piperonylidene; 4,6-Dihydroxy-5-piperonylidene-2(5H)-pyrimidinethione;Expand

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5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Basic Attributes

Molecular Weight：

276.26800

Exact Mass：

276.02047791 g/mol

UNII：

0FK14N4MJ0

NSC Number：

89379

DSSTox ID：

DTXSID90224975

HScode：

2934999090

Characteristics

PSA：

108.75000

XLogP3：

0.98720

Density：

1.62g/cm3

Refractive Index：

1.732

Computed Properties

Molecular Weight:276.27
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:276.02047791
Monoisotopic Mass:276.02047791
Topological Polar Surface Area:109
Heavy Atom Count:19
Complexity:454
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

Basic Attributes
Characteristics
Computed Properties

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