C(CCCCCC(=O)O)CCCCCS
CAS: 82001-53-4
Название: 12-sulfanyldodecanoic acid
SMILES: C(CCCCCC(=O)O)CCCCCS

Molecular Processing

Molecular formula
C12H24O2S
Molecular weight
232.39
Exact mass
232.1497
XLogP
3.9
TPSA
37.3
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
11
Heavy atoms
15
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
67.66

Supplementary Information

InChIKey: SDAWVOFJSUUKMR-UHFFFAOYSA-N
Синонимы
12-Mercaptododecanoic acid82001-53-4DTXSID70340708RefChem:437346DTXCID50291789625-360-112-Sulfanyldodecanoic acidDodecanoic acid, 12-mercapto-12-Sulfanyldodecanoic acid #SCHEMBL41249612-mercapto-1-dodecanoic acid12-Mercaptododecanoic acid, 96%12-Mercaptododecanoic acid, 99%MFCD08705252AKOS028108696G78860F86602412-Mercaptododecanoic acid ,97%;12-Mercaptododecanoic acid 96%
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