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581076-72-4

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Basic Information
CAS No.: 581076-72-4
Name: N-Acetyl-S-(3,4-dimethylbenzene)-L-cysteine
Molecular Structure:
Molecular Structure of 581076-72-4 (N-Acetyl-S-(3,4-dimethylbenzene)-L-cysteine)
Formula: C13H17NO3S
Molecular Weight: 267.34
Synonyms: (2R)-2-Acetamido-3-(3,4-dimethylphenyl)sulfanyl-propanoic acid;
Density: 1.226 g/cm3
Melting Point: 138-140°C
Boiling Point: 502.913 °C at 760 mmHg
Flash Point: 257.953 °C
PSA: 95.19000
LogP: 2.82510
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  • L-Cysteine, N-acetyl-S-(3,4-dimethylphenyl)-

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    L-Cysteine, N-acetyl-S-(3,4-dimethylphenyl)-

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

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  • N-Acetyl-S-(3,4-dimethylbenzene)-L-cysteine

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    N-Acetyl-S-(3,4-dimethylbenzene)-L-cysteine

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    High qualityAppearance:White powder Storage:Room temperature Package:Aluminum bag Application:Used in producing API Transportation:By air Port:Beijing

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  • L-Cysteine, N-acetyl-S-(3,4-dimethylphenyl)-

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    L-Cysteine, N-acetyl-S-(3,4-dimethylphenyl)-

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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  • N-Acetyl-S-(3,4-dimethylbenzene)-L-cysteine

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    N-Acetyl-S-(3,4-dimethylbenzene)-L-cysteine

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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:white to beige crystals Storage:Room temperature with sealed well Package:according to the clients requirement Application:Use a

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    N-Acetyl-S-(3,4-dimethylbenzene)-L-cysteine

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Specification

The CAS registry number of L-Cysteine, N-acetyl-S-(3,4-dimethylphenyl)- is 581076-72-4. The systematic name is (2R)-2-acetamido-3-(3,4-dimethylphenyl)sulfanyl-propanoic acid. In addition, the molecular formula is C13H17NO3S and the molecular weight is 267.34. What's more, it should be stored in a cool and dry place.

Physical properties about L-Cysteine, N-acetyl-S-(3,4-dimethylphenyl)- are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 91.7 Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 72.559 cm3; (13)Molar Volume: 218.109 cm3; (14)Polarizability: 28.765 ×10-24cm3; (15)Surface Tension: 52.275 dyne/cm; (16)Density: 1.226 g/cm3; (17)Flash Point: 257.953 °C; (18)Enthalpy of Vaporization: 81.298 kJ/mol; (19)Boiling Point: 502.913 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1C)SC[C@@H](C(=O)O)NC(=O)C
(2)InChI: InChI=1/C13H17NO3S/c1-8-4-5-11(6-9(8)2)18-7-12(13(16)17)14-10(3)15/h4-6,12H,7H2,1-3H3,(H,14,15)(H,16,17)/t12-/m0/s1
(3)InChIKey: ZLJANJUVOQDAHZ-LBPRGKRZBH