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CAS 30690-43-8 manufacturers and suppliers on PharmaCompass

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CAS 30690-43-8
Also known as: 5h-benzo[b][1,4]benzothiazepine-6-thione, 30690-43-8, Nsc48666, Mls000705760, Schembl7970097, Chembl1413254
Molecular Formula
C13H9NS2
Molecular Weight
243.4  g/mol
InChI Key
JDGIOVSBPLDWSM-UHFFFAOYSA-N

1 2D Structure

CAS 30690-43-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5H-benzo[b][1,4]benzothiazepine-6-thione
2.1.2 InChI
InChI=1S/C13H9NS2/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)
2.1.3 InChI Key
JDGIOVSBPLDWSM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=S)NC3=CC=CC=C3S2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5h-benzo[b][1,4]benzothiazepine-6-thione

2. 30690-43-8

3. Nsc48666

4. Mls000705760

5. Schembl7970097

6. Chembl1413254

7. Schembl12844946

8. Dtxsid90349854

9. Hms2629g15

10. Nsc-48666

11. Zinc13555472

12. Akos005064169

13. Smr000224881

14. Dibenzo[b,f]-1,4-thiazepin-11(10h)-thione

15. Ae-641/00770058

16. 10,11-dihydrodibenzo[b,f][1,4]thiazepin-11-thione

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 243.4 g/mol
Molecular Formula C13H9NS2
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass243.01764164 g/mol
Monoisotopic Mass243.01764164 g/mol
Topological Polar Surface Area69.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity279
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Digital Content Digital Content
URL Supplier Web Content
3159-07-7
Delta Finochem Pvt Ltd. is a privately owned and professionally managed company, accredited by WHO-GMP & ...
Delta Finochem Pvt Ltd. is a privately owned and professionally managed company, accredited by WHO-GMP & ISO 9001:2015 (Year of establishment 1994) Delta Finochem is a leading manufacturers of Active Pharmaceutical Ingredients (Generics), Drug Intermediates, Quaternary Ammonium Compounds, Quaternary Phosphonium compounds. Our focus is on niche products, with a presence in several countries. Our partners are essentially innovators and generic drug companies across the globe for whom we develop a range of new niche products.
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