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2-Mercapto-6-methylthieno[2,3-d]pyrimidin-4(3H)-one

2-Mercapto-6-methylthieno[2,3-d]pyrimidin-4(3H)-one - CAS 38201-63-7

Catalog:	BB046247
Product Name:	2-Mercapto-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
CAS:	38201-63-7
Synonyms:	2-Mercapto-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one; 6-methyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one; 6-methyl-2-sulfanylthieno[2,3-d]pyrimidin-4-ol

Technical Data

Computed Properties

IUPAC Name:	6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Description:	2-Mercapto-6-methylthieno[2,3-d]pyrimidin-4(3H)-one (CAS# 38201-63-7 ) is a useful research chemical.
Molecular Weight:	198.3
Molecular Formula:	C7H6N2OS2
Canonical SMILES:	CC1=CC2=C(S1)NC(=S)NC2=O
InChI:	InChI=1S/C7H6N2OS2/c1-3-2-4-5(10)8-7(11)9-6(4)12-3/h2H,1H3,(H2,8,9,10,11)
InChI Key:	JBBMDBAUKIIVJP-UHFFFAOYSA-N
Density:	1.6±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[42729-26-0]
3-(Trifluoromethylthio)phenyl isothiocyanate
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

Thiophenes

[13196-28-6]
2-Phenyl-1-(thiophen-2-yl)ethanone
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[308831-93-8]
Ethyl 2-[(ethoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylate
[438220-53-2]
Ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
[306934-99-6]
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
[4815-36-5]
Ethyl 2-amino-4-phenylthiophene-3-carboxylate

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.99215517
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	197.99215517
Rotatable Bond Count:	0
Topological Polar Surface Area:	102
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5