Text Search
Structure Search

m-toluenesulfonic acid hydrate

m-toluenesulfonic acid hydrate

CAS: 312619-56-0

Formula: C7H10O4S

SMILES: O.CC1=CC(=CC=C1)S(O)(=O)=O

IUPAC: 3-methylbenzene-1-sulfonic acid hydrate

InChI: InChI=1S/C7H8O3S.H2O/c1-6-3-2-4-7(5-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2

Composition: C (44.20%), H (5.30%), O (33.64%), S (16.85%)

Molar Mass: 190.21

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 190.029979976
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GHLYGGIKYFLYTH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.72
Topological Polar Surface Area 54.37
Polarizability 16.71
Ring Count 1
Rotatable Bond Count 1

Suppliers

No suppliers are currently stocking this item.