CAS: 618-41-7
이름: benzenesulfinic acid
SMILES:
C1=CC=C(C=C1)S(=O)OMolecular Processing
Molecular formula
C6H6O2S
Molecular weight
142.18
Exact mass
142.0089
XLogP
1.27
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
35.48
Supplementary Information
InChIKey: JEHKKBHWRAXMCH-UHFFFAOYSA-N
동의어
BENZENESULFINIC ACID618-41-7Benzenesulphinic acidPhenylsulfinic acidG9560D97PINSC-227915CHEBI:32404DTXSID90210797RefChem:117714DTXCID80197508210-548-4MFCD00800458Benzenesulphenic acidBenzenesulfinic-acid-NSC227915UNII-G9560D97PIEINECS 210-548-4benzene sulfinic acidNSC 227915PhSO2HWLN: QSO&RSCHEMBL9175SCHEMBL49328SCHEMBL8163975SAM-760 METABOLITE 1SCHEMBL16674608SCHEMBL17329629SCHEMBL17329631AKOS006271434DB03848
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