CAS 66608-52-4

Chemistry, 1 End Use API

Chemistry
1 End Use API

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3 Intermediates

3 Intermediates

Also known as: 66608-52-4, 4-(propylthio)benzene-1,2-diamine, 4-propylsulfanylbenzene-1,2-diamine, 1,2-benzenediamine,4-(propylthio)-, 4-propylsulfanyl-benzene-1,2-diamine, 4-(propylthio)-1,2-phenylenediamine

Molecular Formula

C₉H₁₄N₂S

Molecular Weight

182.29 g/mol

InChI Key

YXXYBJDTATZCOJ-UHFFFAOYSA-N

1 2D Structure

CAS 66608-52-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-propylsulfanylbenzene-1,2-diamine

2.1.2 InChI

InChI=1S/C9H14N2S/c1-2-5-12-7-3-4-8(10)9(11)6-7/h3-4,6H,2,5,10-11H2,1H3

2.1.3 InChI Key

YXXYBJDTATZCOJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCSC1=CC(=C(C=C1)N)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 66608-52-4

2. 4-(propylthio)benzene-1,2-diamine

3. 4-propylsulfanylbenzene-1,2-diamine

4. 1,2-benzenediamine,4-(propylthio)-

5. 4-propylsulfanyl-benzene-1,2-diamine

6. 4-(propylthio)-1,2-phenylenediamine

7. 1,2-benzenediamine, 4-(propylthio)-

8. Febuxosta

9. 4-(propylthio)-1,2-benzenediamine

10. 4-(propylsulfanyl)benzene-1,2-diamine

11. Albendazole Impurity 1

12. 4-propylthio-o-phenylenediamine

13. Schembl8512890

14. Dtxsid70388504

15. Zinc2576816

16. Akos006241624

17. Sb38207

18. Cs-0454739

19. Ft-0692349

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₄N₂S
Molecular Weight	182.29 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	182.08776963 g/mol
Monoisotopic Mass	182.08776963 g/mol
Topological Polar Surface Area	77.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130
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

66608-52-4

Intermediate Name

4-(Propylthio)-1,2-phenylenediamine

About the Company

Omshri Labs is a privately held specialty chemicals company with corporate headquarters in Indore, Madhya...

Omshri Labs is a privately held specialty chemicals company with corporate headquarters in Indore, Madhya Pradesh. Our company is a leader in chemical technology for Active Pharmaceutical Ingredients (APIs), Intermediates, and custom batch manufacturing. We are committed to “Serve High-Quality Products” to the leading pharma companies in domestic and international markets. Our Research and Development team is highly experienced to synthesis complex and innovative products. We have strong capabilities in process chemistry and develop high quality products efficiently and cost effectively.

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