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Details

Stereochemistry ACHIRAL
Molecular Formula C16H10S
Molecular Weight 234.316
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZO(A)DIBENZOTHIOPHENE

SMILES

S1C2=CC=CC=C2C3=C1C4=C(C=CC=C4)C=C3

InChI

InChIKey=YEUHHUCOSQOCIX-UHFFFAOYSA-N
InChI=1S/C16H10S/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H

HIDE SMILES / InChI

Molecular Formula C16H10S
Molecular Weight 234.316
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Electrophilic chemistry of thia-PAHs: stable carbocations (NMR and DFT), S-alkylated onium salts, model electrophilic substitutions (nitration and bromination), and mutagenicity assay.
2007-10-26
Analysis of dibenzothiophene metabolic pathway in Mycobacterium strain G3.
2002
An evaluation of the mutagenicity, metabolism, and DNA adduct formation of 5-nitrobenzo[b]naphtho[2,1-d]thiophene.
2001-06
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:40:11 GMT 2025
Edited
by admin
on Mon Mar 31 19:40:11 GMT 2025
Record UNII
TSV456A44D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZO(A)DIBENZOTHIOPHENE
Common Name English
NSC-89259
Preferred Name English
1,2-BENZO-9-THIAFLUORENE
Common Name English
NAPHTHO(1,2-B)THIANAPHTHENE
Common Name English
11-THIABENZO(A)FLUORENE
Systematic Name English
BENZO(B)NAPHTHO(2,1-D)THIOPHENE
Systematic Name English
BENZO(B)NAPHTHO(2,1-D)THIOPHENE [IARC]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID8075205
Created by admin on Mon Mar 31 19:40:11 GMT 2025 , Edited by admin on Mon Mar 31 19:40:11 GMT 2025
PRIMARY
FDA UNII
TSV456A44D
Created by admin on Mon Mar 31 19:40:11 GMT 2025 , Edited by admin on Mon Mar 31 19:40:11 GMT 2025
PRIMARY
PUBCHEM
9198
Created by admin on Mon Mar 31 19:40:11 GMT 2025 , Edited by admin on Mon Mar 31 19:40:11 GMT 2025
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NSC
89259
Created by admin on Mon Mar 31 19:40:11 GMT 2025 , Edited by admin on Mon Mar 31 19:40:11 GMT 2025
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CAS
239-35-0
Created by admin on Mon Mar 31 19:40:11 GMT 2025 , Edited by admin on Mon Mar 31 19:40:11 GMT 2025
PRIMARY
ECHA (EC/EINECS)
205-948-0
Created by admin on Mon Mar 31 19:40:11 GMT 2025 , Edited by admin on Mon Mar 31 19:40:11 GMT 2025
PRIMARY