CAS: 942-91-6
Название: 2-(benzenecarbonothioylsulfanyl)acetic acid
SMILES:
C1=CC=C(C=C1)C(=S)SCC(=O)OMolecular Processing
Molecular formula
C9H8O2S2
Molecular weight
212.29
Exact mass
211.9966
XLogP
2.18
TPSA
37.3
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
58.24
Supplementary Information
InChIKey: XBEIANFIOZTEDE-UHFFFAOYSA-N
Синонимы
Acetic acid, [(phenylthioxomethyl)thio]-((Phenylthioxomethyl)thio)acetic acidEINECS 213-393-0DTXSID30240972[(phenylthioxomethyl)thio]acetic acidNSC 42331NSC 68200Acetic acid, ((phenylthioxomethyl)thio)-RefChem:390447Thiobenzoylmercaptoacetic acidDTXCID60163463213-393-0942-91-6S-(Thiobenzoyl)thioglycolic acid2-((Phenylcarbonothioyl)thio)acetic acid2-(benzenecarbonothioylsulfanyl)acetic acid[(phenylcarbonothioyl)thio]acetic acidMFCD00004927C9H8O2S2Carboxymethyl dithiobenzoate(Thiobenzoylthio)acetic acid2-(benzenecarbothioylsulfanyl)acetic acidAcetic acid, 2-[(phenylthioxomethyl)thio]-Thiobenzoyl thioglycolateThiobenzoylthioacetic acid2-(Benzothioylthio)acetic acidBenzoic acid, carboxymethyl esterBenzoic acid, ester with mercaptoacetic acidThiobenzoylsulfanylacetic acidBenzoic acid, dithio-, ester with mercaptoacetic acid
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