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Details

Stereochemistry ACHIRAL
Molecular Formula C10H7NS
Molecular Weight 173.234
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(Benzo[b]thiophen-3-yl)acetonitrile

SMILES

N#CCC1=CSC2=C1C=CC=C2

InChI

InChIKey=DEELHLMCCWZFFE-UHFFFAOYSA-N
InChI=1S/C10H7NS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2

HIDE SMILES / InChI

Molecular Formula C10H7NS
Molecular Weight 173.234
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 12:18:23 GMT 2023
Edited
by admin
on Sat Dec 16 12:18:23 GMT 2023
Record UNII
JYC4JL4XSU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Benzo[b]thiophen-3-yl)acetonitrile
Systematic Name English
3-(Cyanomethyl)benzo[b]thiophene
Systematic Name English
(Benzo[b]thiophen-3-yl)acetonitrile
Systematic Name English
Thianaphthene-3-acetonirile
Systematic Name English
2-(1-Benzothiophen-3-yl)acetonitrile
Systematic Name English
3-Benzothienylacetonitrile
Systematic Name English
NSC-332302
Code English
2-(Benzo[b]thien-3-yl)acetonitrile
Systematic Name English
BENZO(B)THIOPHENE-3-ACETONITRILE
Systematic Name English
3-Benzothiopheneacetonitrile
Systematic Name English
Code System Code Type Description
FDA UNII
JYC4JL4XSU
Created by admin on Sat Dec 16 12:18:23 GMT 2023 , Edited by admin on Sat Dec 16 12:18:23 GMT 2023
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CAS
3216-48-6
Created by admin on Sat Dec 16 12:18:23 GMT 2023 , Edited by admin on Sat Dec 16 12:18:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-733-4
Created by admin on Sat Dec 16 12:18:23 GMT 2023 , Edited by admin on Sat Dec 16 12:18:23 GMT 2023
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PUBCHEM
76681
Created by admin on Sat Dec 16 12:18:23 GMT 2023 , Edited by admin on Sat Dec 16 12:18:23 GMT 2023
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NSC
332302
Created by admin on Sat Dec 16 12:18:23 GMT 2023 , Edited by admin on Sat Dec 16 12:18:23 GMT 2023
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EPA CompTox
DTXSID40185946
Created by admin on Sat Dec 16 12:18:23 GMT 2023 , Edited by admin on Sat Dec 16 12:18:23 GMT 2023
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