Kimia Biosciences

CAS 1610527-49-5

Chemistry, 1 End Use API, 8 Related Intermediates

Manufacturers/Suppliers

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Also known as: 1610527-49-5, 2,4-dimethyl-1-[(2-nitrophenyl)thio]benzene, 2,4-dimethyl-1-(2-nitrophenyl)sulfanylbenzene, 2,4-dimethyl-1-[(2-nitrophenyl)sulfanyl]benzene, (2,4-dimethylphenyl)(2-nitrophenyl)sulfane; 2,4-dimethyl-1-[(2-nitrophenyl)sulfanyl]benzene, Schembl16157184

Molecular Formula

C₁₄H₁₃NO₂S

Molecular Weight

259.33 g/mol

InChI Key

SHBWPKLGXVSPIP-UHFFFAOYSA-N

1 2D Structure

CAS 1610527-49-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4-dimethyl-1-(2-nitrophenyl)sulfanylbenzene

2.1.2 InChI

InChI=1S/C14H13NO2S/c1-10-7-8-13(11(2)9-10)18-14-6-4-3-5-12(14)15(16)17/h3-9H,1-2H3

2.1.3 InChI Key

SHBWPKLGXVSPIP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1610527-49-5

2. 2,4-dimethyl-1-[(2-nitrophenyl)thio]benzene

3. 2,4-dimethyl-1-(2-nitrophenyl)sulfanylbenzene

4. 2,4-dimethyl-1-[(2-nitrophenyl)sulfanyl]benzene

5. (2,4-dimethylphenyl)(2-nitrophenyl)sulfane; 2,4-dimethyl-1-[(2-nitrophenyl)sulfanyl]benzene

6. Schembl16157184

7. Bcp19995

8. Mfcd27918698

9. Ds-19502

10. 1-(2,4-dimethylphenylthio)-2-nitrobenzene

11. Cs-0020655

12. Ft-0700814

13. J3.556.217f

14. D83699

15. A906479

2.3 Create Date

2014-11-10

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₃NO₂S
Molecular Weight	259.33 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	71.1
Heavy Atom Count	18
Formal Charge	0
Complexity	292
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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2-bromonitrobenzene

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CAS Number

577-19-5

End Use API

Vortioxetine Hydrobromide

About the Company

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.

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