CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
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![CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5b50edc3f1bd4908a086cf1393b5be13.png "CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid")
CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
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CAS No:
314042-01-8
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Formula:
C18H18N2O4S2
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Chemical Name:
CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
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Synonyms:
CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid;CID-1067700;2-(Benzoylcarbamothioylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic Acid;2-[[(Benzoylamino)thioxomethyl]amino]-4,7-dihydro-5,5-dimethyl-5H-thieno[2,3-c]pyran-3-carboxylic acid;SID57578339
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CAS No:
Description
2-[[benzamido(sulfanylidene)methyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid is a thienopyran.
CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Basic Attributes
390.47652
390.071
-0
DTXSID80360013
Characteristics
148
3.4
white to light brown
1.410±0.06 g/cm3(Predicted)
DMSO: soluble 10mg/mL, clear
2-8°C
CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid Use and Manufacturing
This compound acts as a novel GTPase inhibitor.
Computed Properties
Molecular Weight:390.5
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:390.07079941
Monoisotopic Mass:390.07079941
Topological Polar Surface Area:148
Heavy Atom Count:26
Complexity:578
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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CID-1067700,2-(3-benzoylthioureido)-5,5-diMethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
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