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57564-94-0

Basic Information
CAS No.: 57564-94-0
Name: 7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-2-(methylthio)-
Article Data: 7
Cas Database
Molecular Structure:
Molecular Structure of 57564-94-0 (7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-2-(methylthio)-)
Formula: C7H6ClN3S
Molecular Weight: 199.664
Synonyms: 5-Chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene;4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-5-amine;
EINECS: N/A
Density: 1.52 g/cm3
Melting Point: N/A
Boiling Point: 433.4 °C at 760 mmHg
Flash Point: 215.9 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: T
Risk Codes: 25
Safety: 45
Transport Information: N/A
PSA: 66.87000
LogP: 2.33320
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  • SHANGHAI ZZBIO CO., LTD.

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-21-68404353-215

    Address:Rm 710, 30 BLDG, 2419 Hu Nan RD., Pudong New Area, Shanghai, China

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  • 4-CHLORO-2-(METHYLTHIO)-7H-PYRROLO[2,3-D]PYRIMIDINE

  • Casno:

    57564-94-0

    4-CHLORO-2-(METHYLTHIO)-7H-PYRROLO[2,3-D]PYRIMIDINE

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    Known for its best quality and competitve price, this chemicals we offered is widely appreciated by our customers.Appearance:yellow to white solid Storage:keep sealed and keep from direct light Package:According client's requirements Application:Phar

    Jinan YSPharma Biotechnology Co., Ltd is a large group specializing in contract manufacturing to the pharmaceutical, agrochemical and Fine chemicals with top quality products and s

  • coolpharm Ltd

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    Business Type:Other

    Tel:86-531-8233381 86-18678657237

    Address:Room 302,Building 1,Union Fortune Square, No. 2117,Tianchen Road,High-tech Zone,Jinan,Shandong,China

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  • 4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine

  • Casno:

    57564-94-0

    4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    Cool Pharm, a High and New Technology company,is a supplier of fine chemicals, building blocks and pharmaceutical intermediates which located in Chuansha Economic Park in Shanghai, P.R. China. Storage:Store in cool place. Keep container tightly close

    Cool Pharm, a High and New Technology company,is a supplier of fine chemicals, building blocks and pharmaceutical intermediates which located in Ch

  • coolpharm Ltd

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86 (21) 60455363

    Address:Shanghai China

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Specification

The 7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-2-(methylthio)-, with the CAS registry number 57564-94-0, is also known as 5-Chloro-3-methylsulfanyl-2,4,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraene. It belongs to the product category of Chiral chemicals. This chemical's molecular formula is C7H6ClN3S and molecular weight is 199.66. What's more, its IUPAC name is 4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine.

Physical properties of 7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-2-(methylthio)- are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.68; (6)ACD/BCF (pH 7.4): 7.68; (7)ACD/KOC (pH 5.5): 149.72; (8)ACD/KOC (pH 7.4): 149.69; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 56.01 Å2; (13)Index of Refraction: 1.711; (14)Molar Refractivity: 51.29 cm3; (15)Molar Volume: 131.1 cm3; (16)Polarizability: 20.33×10-24cm3; (17)Surface Tension: 78.7 dyne/cm; (18)Density: 1.52 g/cm3; (19)Flash Point: 215.9 °C; (20)Enthalpy of Vaporization: 66.28 kJ/mol; (21)Boiling Point: 433.4 °C at 760 mmHg; (22)Vapour Pressure: 2.6E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(nc2c1ccn2)SC
(2)Std. InChI: InChI=1S/C7H6ClN3S/c1-12-7-10-5(8)4-2-3-9-6(4)11-7/h2-3H,1H3,(H,9,10,11)
(3)Std. InChIKey: WEGGBXZHIWVHOI-UHFFFAOYSA-N