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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5NS2.C2H7NO
Molecular Weight 228.334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Monoethanolammonium 2-mercaptobenzothiazole

SMILES

NCCO.S=C1NC2=CC=CC=C2S1

InChI

InChIKey=BGZRCNAAUWQNRX-UHFFFAOYSA-N
InChI=1S/C7H5NS2.C2H7NO/c9-7-8-5-3-1-2-4-6(5)10-7;3-1-2-4/h1-4H,(H,8,9);4H,1-3H2

HIDE SMILES / InChI

Molecular Formula C2H7NO
Molecular Weight 61.0831
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H5NS2
Molecular Weight 167.251
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:54:27 UTC 2023
Edited
by admin
on Sat Dec 16 07:54:27 UTC 2023
Record UNII
B9KE7SN83F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Monoethanolammonium 2-mercaptobenzothiazole
Common Name English
2-Benzothiazolethiol, compd. with 2-aminoethano
Common Name English
2-Mercaptobenzothiazole ethanolamine salt (1:1)
Common Name English
2-Benzothiazolethiol, compd. with 2-aminoethanol (1:1)
Systematic Name English
2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1)
Systematic Name English
2(3H)-Benzothiazolethione, compd. with 2-aminoethanol
Common Name English
2-Mercaptobenzothiazole monoethanolamine salt
Common Name English
NSC-68089
Code English
Classification Tree Code System Code
EPA PESTICIDE CODE 51706
Created by admin on Sat Dec 16 07:54:27 UTC 2023 , Edited by admin on Sat Dec 16 07:54:27 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID5058432
Created by admin on Sat Dec 16 07:54:27 UTC 2023 , Edited by admin on Sat Dec 16 07:54:27 UTC 2023
PRIMARY
ECHA (EC/EINECS)
227-597-2
Created by admin on Sat Dec 16 07:54:27 UTC 2023 , Edited by admin on Sat Dec 16 07:54:27 UTC 2023
PRIMARY
NSC
68089
Created by admin on Sat Dec 16 07:54:27 UTC 2023 , Edited by admin on Sat Dec 16 07:54:27 UTC 2023
PRIMARY
PUBCHEM
3037135
Created by admin on Sat Dec 16 07:54:27 UTC 2023 , Edited by admin on Sat Dec 16 07:54:27 UTC 2023
PRIMARY
CAS
5902-85-2
Created by admin on Sat Dec 16 07:54:27 UTC 2023 , Edited by admin on Sat Dec 16 07:54:27 UTC 2023
PRIMARY
FDA UNII
B9KE7SN83F
Created by admin on Sat Dec 16 07:54:27 UTC 2023 , Edited by admin on Sat Dec 16 07:54:27 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE