3-Thiazolidineethanol, 2-imino-alpha-phenyl-, 4-methylbenzenesulfonate (1:1)

HCID 86659
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Basic information

CAS
18126-02-8
Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.N=C1SCCN1CC(O)c1ccccc1
InChIKey
MCTPEMSIZLTTCE-UHFFFAOYSA-N
Molecular formula
C18H22N2O4S2
Average molar mass
394.5 g/mol

Names & identifiers

Preferred name
3-Thiazolidineethanol, 2-imino-alpha-phenyl-, 4-methylbenzenesulfonate (1:1)
IUPAC
2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;4-methylbenzenesulfonic acid

Names & synonyms

EINECS 242-014-13-Thiazolidineethanol, 2-imino-2-phenyl-, 4-methylbenzenesulfonate3-Thiazolidineethanol, 2-imino-alpha-phenyl-, 4-methylbenzenesulfonate (1:1)3-Thiazolidineethanol, 2-imino-alpha-phenyl-, mono(4-methylbenzenesulfonate) (salt)RefChem:954693-Thiazolidineethanol, 2-imino-.alpha.-phenyl-, 4-methylbenzenesulfonate (1:1)18126-02-83-(2-Hydroxy-1-phenylethyl)-2-iminothiazolidine toluene-p-sulphonateSCHEMBL110991352-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanol;4-methylbenzenesulfonic acid3-(beta-hydroxyphenethyl)-2-iminothiazolidine p-toluene sulfonate

Database identifiers

CAS
18126-02-8
PubChem CID
86659
EC Number
242-014-1

Properties

Computed structural propertiesFilling in

Topological polar surface area
135 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
26

Chemistry & industry

Uses & manufacturing

General Manufacturing Information3-Thiazolidineethanol, 2-imino-.alpha.-phenyl-, 4-methylbenzenesulfonate (1:1): INACTIVE

Related reactions

1 records
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Compound notes

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