4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid
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4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid
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CAS No:
63704-52-9
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Formula:
C13H16N2O3S2
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Chemical Name:
4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid
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Synonyms:
USAF K-2598;
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CAS No:
4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid Basic Attributes
312.40800
312.06023472
49840
DTXSID00213118
Computed Properties
Molecular Weight:312.4
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:312.06023472
Monoisotopic Mass:312.06023472
Topological Polar Surface Area:110
Heavy Atom Count:20
Complexity:526
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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