CAS: 98-91-9
الاسم: benzenecarbothioic S-acid
SMILES:
C1=CC=C(C=C1)C(=O)SMolecular Processing
Molecular formula
C7H6OS
Molecular weight
138.19
Exact mass
138.0139
XLogP
1.76
TPSA
17.07
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
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
39.76
Supplementary Information
InChIKey: UIJGNTRUPZPVNG-UHFFFAOYSA-N
مرادفات
Thiobenzoic acid98-91-9Benzenecarbothioic acidBenzenecarbothioic S-acidMonothiobenzoic acidBENZOIC ACID, THIO-Acido mercaptobenzoicoCCRIS 8913Acido mercaptobenzoico [Italian]GBG5RLO56NEINECS 202-712-9NSC 66502NSC-66502DTXSID3059181RefChem:897760DTXCID6049064202-712-9Benzoyl thiolbenzothioic S-acidMFCD00004852CHEMBL1955873Thiobenzoic Acid (94%)(Benzenecarbothioic Acid)Thiobenzoic Acid (94per cent)(Benzenecarbothioic Acid)UNII-GBG5RLO56NthiobenzoateThiobenzoesaurebenzothioicS-acidBenzoyl Thiol; Monothiobenzoic Acid; NSC 66502; Benzenecarbothioic Acidthio-benzoic acidthiobenzoic s-acid
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