Free Chemical Databases
-
[Synonyms]
NCIStruc1_000129
NCIStruc2_000283
NSC39209
2-(2-thienylmethyl)malonic acid
NCI39209
NCGC00013456
NSC-39209
NCI60_003705
4475-24-5
[Structure]
[ Properties Computed from Structure]
Molecular Weight 200.21172 [g/mol] Molecular Formula C8H8O4S XLogP 0.4 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 4 Exact Mass 200.014329 MonoIsotopic Mass 200.014329 Topological Polar Surface Area 74.6 Heavy Atom Count 13 Formal Charge 0 Complexity 202 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-(thiophen-2-ylmethyl)propanedioic acid
Canonical SMILES: C1=CSC(=C1)CC(C(=O)O)C(=O)O
InChI: InChI=1/C8H8O4S/c9-7(10)6(8(11)12)4-5-2-1-3-13-5/h1-3,6H,4H2,(H,9,10)(H,
11,12)/f/h9,11H
Other Chemicals
- 9beta-Hydroxymarasmic acid,CCRIS 5099,LS-189161,Cycloprop(e)indene-6b(1H)-carboxylic acid, 1a,2-diformyl-1a,3a
- Stearoamphoglycinate,Sodium stearoamphoacetate,EINECS 250-215-0,1H-Imidazolium, 1-(carboxymethyl)-2-heptadecyl
- 2-Adgg ,2-Acetamido-2-deoxyglucosylgalactitol ,2-Acetamido-2-deoxyglucosyl-(1-3)-galactitol ,D-Galactitol, 3-O
- IUPAC Name: 2-[4-[3-[5-hydroxy-2-(trifluoromethyl)phenothiazin-10-yl]propyl],piperazin-1-yl]ethanol,Canonical
- Tunicamine ,L-Allo-D-galacto-undecodialdose, 2-amino-2,6-dideoxy-,66054-53-3,
- 113086-35-4
- IUPAC Name: 2-[4-[2-[4-[1-[(2-methoxyphenyl)amino]-1,,3-dioxobutan-2-yl]diazenyl-2-sulfophenyl]ethenyl]-3-sulf
- IUPAC Name: sodium 4-carbamoylpiperidine-1-carbodithioate,Canonical SMILES: C1CN(CCC1C(=O)N)C(=S)[S-].[Na+],In
- Copper ammine sulfate,Tetraaminecopper sulfate,Cupric sulfate ammoniate,Tetraamminecopper sulfate,Tetraamminec
- IUPAC Name: 1-hydroxy-3-(2-methylpropyl)-5-(2-methylpropylidene)pyrazine-2,6-dione,Canonical SMILES: CC(C)CC1=
- 37440-29-2
- EINECS 286-145-2,2:1 Complex of 1-(3-aminosulfonylphenyl)-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-4,5-
- Petaline ,Petaline chloride,LS-102503,64057-59-6,
- 101365-12-2
- IUPAC Name: [5-[3,5-dihydroxy-2-(1,3,,4-trihydroxy-5-oxopentan-2-yl)oxyoxan-4-yl]oxy-3,,4-dihydroxyoxolan-2-yl
- CP 68365,LS-9503,N-(Ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-hydroxyacetamide,Acetamide, N-(ethoxymethyl)-N-
- IUPAC Name: sodium (4S)-5-hydroxy-4-(octadecanoylamino)-5-oxopentanoate,Canonical SMILES: CCCCCCCCCCCCCCCCCC(=
- EINECS 238-129-1,(2-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)trimethylammonium methyl sulphate
- Cannabidiol monomethyl ether ,Cannabidiol-3-monomethyl ether ,1972-05-0,Phenol, 3-methoxy-2-(3-methyl-6-(1-met
- 24464-29-7
- 89932-51-4
- Atrovenetin ,Spectrum_001720,KBioSS_002200,KBio2_002200,KBio2_004768,KBio2_007336,2582-86-7,3H-Phenaleno(1,2-b
- 4-tert-Butyl-2,6-diisopropylphenol ,LS-104501,Phenol, 4-(1,1-dimethylethyl)-2,6-bis(1-methylethyl)-,57354-65-1
- 4,4'-Dithiobis(phenylazide) ,Disulfide, bis(4-azidophenyl),4,4'-Dithiobis(phenyl azide) ,37434-06-3,
- Cephachlomezine ,22561-27-9,7-(m-Chlorophenylacetamido)-3-(4,4-dimethylpiperazinium-1-thiocarbonyl-thiomethyl)
- IUPAC Name: 8-[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]diazenyl-5-,phenyldiazenylnaphthalene-2-sulfonic a
- NCGC00016815-01,CAS-33005-95-7,103667-50-1,
- EINECS 276-932-9,((6,7-Dichloro-9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino)bis(N-cyclohexyltoluenesulphona
- 117252-00-3