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Details

Stereochemistry ACHIRAL
Molecular Formula C10H10N2S2
Molecular Weight 222.33
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-AMINO-5,6,7,8-TETRAHYDRO-1-THIOXO-1H-2-BENZOTHIOPYRAN-4-CARBONITRILE

SMILES

NC1=C(C#N)C2=C(CCCC2)C(=S)S1

InChI

InChIKey=ZTVYCPUACCAUGH-UHFFFAOYSA-N
InChI=1S/C10H10N2S2/c11-5-8-6-3-1-2-4-7(6)10(13)14-9(8)12/h1-4,12H2

HIDE SMILES / InChI

Molecular Formula C10H10N2S2
Molecular Weight 222.33
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 12:46:32 GMT 2023
Edited
by admin
on Sat Dec 16 12:46:32 GMT 2023
Record UNII
DW78HM3N4L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-AMINO-5,6,7,8-TETRAHYDRO-1-THIOXO-1H-2-BENZOTHIOPYRAN-4-CARBONITRILE
Systematic Name English
1H-2-BENZOTHIOPYRAN-4-CARBONITRILE, 3-AMINO-5,6,7,8-TETRAHYDRO-1-THIOXO-
Systematic Name English
NSC-269621
Code English
2-THIOISOCOUMARIN, 3-AMINO-4-CYANO-5,6,7,8-TETRAHYDRO-1-THIO-
Systematic Name English
Code System Code Type Description
FDA UNII
DW78HM3N4L
Created by admin on Sat Dec 16 12:46:32 GMT 2023 , Edited by admin on Sat Dec 16 12:46:32 GMT 2023
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EPA CompTox
DTXSID90200734
Created by admin on Sat Dec 16 12:46:32 GMT 2023 , Edited by admin on Sat Dec 16 12:46:32 GMT 2023
PRIMARY
NSC
269621
Created by admin on Sat Dec 16 12:46:32 GMT 2023 , Edited by admin on Sat Dec 16 12:46:32 GMT 2023
PRIMARY
PUBCHEM
712660
Created by admin on Sat Dec 16 12:46:32 GMT 2023 , Edited by admin on Sat Dec 16 12:46:32 GMT 2023
PRIMARY
CAS
5275-11-6
Created by admin on Sat Dec 16 12:46:32 GMT 2023 , Edited by admin on Sat Dec 16 12:46:32 GMT 2023
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