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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
Flag China
Digital Content Digital Content
13291-61-7
We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...
We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.
Shandong Boyuan Pharmaceutical

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