Cysteine, S-methyl- supplier

Name
S-methylcysteine
EINECS 231-787-0
CAS No. 7728-98-5
Article Data57
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point 205-207 °C
Formula C₄H₉NO₂S
Boiling Point 300.3 °C at 760 mmHg
Molecular Weight 135.187
Flash Point 135.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms S-Methyl cysteine;
PSA 88.62000
LogP 0.46160

Cysteine, S-methyl- Specification

The Cysteine, S-methyl-, with the CAS registry number 7728-98-5, is also known as S-Methyl cysteine. Its EINECS registry number is 231-787-0. This chemical's molecular formula is C₄H₉NO₂S and molecular weight is 135.1848. What's more, its systematic name is called S-Methylcysteine.

Physical properties about Cysteine, S-methyl- are: (1)ACD/LogP: 0.38; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.11; (4)ACD/LogD (pH 7.4): -2.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 54.84 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 33.63 cm³; (15)Molar Volume: 107.2 cm³; (16)Surface Tension: 53.6 dyne/cm; (17)Density: 1.26 g/cm³; (18)Flash Point: 135.4 °C; (19)Enthalpy of Vaporization: 59.43 kJ/mol; (20)Boiling Point: 300.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000267 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)CSC
(2) InChI: InChI=1/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
(3) InChIKey: IDIDJDIHTAOVLG-UHFFFAOYAT

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)		National Technical Information Service. Vol. AD277-689,

Product Name

S-methylcysteine

Cysteine, S-methyl- Specification

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