R L Fine Chem

CAS 30690-43-8

Chemistry, 1 End Use API, 32 Related Intermediates

Manufacturers/Suppliers

1 Suppliers

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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 Formula	C₁₃H₉NS₂
Molecular Weight	243.4 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	243.01764164 g/mol
Monoisotopic Mass	243.01764164 g/mol
Topological Polar Surface Area	69.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	279
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

147-93-3

End Use API

Established in 1984, R L Fine Chem Pvt. Ltd. is one of the fastest growing API companies, with a leadersh...

Established in 1984, R L Fine Chem Pvt. Ltd. is one of the fastest growing API companies, with a leadership position in several APIs such as antihistamines, antidepressants and muscle relaxants. Acquired by private equity groups in 2016, it is one of India’s leading manufacturers of psychotropic substances. It supplies over 60 APIs to customers in more than 62 countries from FDA and EU-approved locations. R L Fine Chem is a technology-driven company with a focus on the in-house manufacture of key intermediates for our APIs. The company currently operates out of four facilities in the Indian states of Karnataka and Andhra Pradesh.

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