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5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione structure

CAS No:
7651-40-3
Formula:
C13H16N2O2S
Chemical Name:
5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Synonyms:
Lilly 22113;LY 22113;thiohexital;thiohexital, sodium salt, (+-)-isomer;5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione;(+-)-5-Allyl-5-(1-methyl-2-pentynyl)-2-thiobarbituric acid;4,6(1H,5H)-Pyrimidinedione, dihydro-5-(1-methyl-2-pentynyl)-5-(2-propenyl)-2-thioxo-, (+-)-;5-allyl-5-(hex-3-yn-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

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5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Basic Attributes

Molecular Weight：

264.34300

Exact Mass：

264.09300

Characteristics

PSA：

90.29000

XLogP3：

1.78690

Density：

1.2g/cm3

Drug Information

MeSH Entry Terms：

Lilly 22113

Computed Properties

Molecular Weight:264.35
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:264.09324893
Monoisotopic Mass:264.09324893
Topological Polar Surface Area:90.3
Heavy Atom Count:18
Complexity:450
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: slipped rib syndrome; ipa structure; tertiary butyl catechol; magnesium sulfate sds; acetylene formula; thiamine pyrophosphate

Guide of 5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

5-hex-3-yn-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

SDS

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