CAS No.6938-68-7,2-Methyl-3-thiosemicarbazide Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6938-68-7
Name:	2-Methyl-3-thiosemicarbazide
Article Data:	12

Formula:	C₂H₇N₃S
Molecular Weight:	105.164
Synonyms:	Semicarbazide,2-methyl-3-thio- (6CI,7CI,8CI);2-Methyl-3-thiosemicarbazide;2N-Methylthiosemicarbazide;NSC 53998;N-methylhydrazinecarbothioamide;hydrazinecarbothioamide, N-methyl-;hydrazinecarbothioamide, 1-methyl-;
EINECS:	230-071-5
Density:	1.295 g/cm³
Melting Point:	173-175 °C(lit.)
Boiling Point:	196.4 °C at 760 mmHg
Flash Point:	72.6 °C
Appearance:	White crystal
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	87.37000
LogP:	0.43610

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Specification

The Hydrazinecarbothioamide,1-methyl-, with the CAS registry number 6938-68-7 and EINECS registry number 230-071-5, has the systematic name of 1-methylhydrazinecarbothioamide. It belongs to the following product categories: Organic Building Blocks; Sulfur Compounds; Thiocarbonyl Compounds. And the molecular formula of the chemical is C₂H₇N₃S.

The characteristics of Hydrazinecarbothioamide,1-methyl- are as followings: (1)ACD/LogP: -1.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -1.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.35; (8)ACD/KOC (pH 7.4): 5.35; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.81 Å²; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 29.39 cm³; (15)Molar Volume: 81.1 cm³; (16)Polarizability: 11.65×10^-24cm³; (17)Surface Tension: 79.1 dyne/cm; (18)Density: 1.295 g/cm³; (19)Flash Point: 72.6 °C; (20)Enthalpy of Vaporization: 43.26 kJ/mol; (21)Boiling Point: 196.4 °C at 760 mmHg; (22)Vapour Pressure: 0.399 mmHg at 25°C.

Uses of Hydrazinecarbothioamide,1-methyl-: It can react with 2-methyl-3-oxo-butyric acid ethyl ester to produce methyl-2 (methyl-2 thiosemicarbazono)-3 butanoate d' ethyle. The reaction time is 2 hours with temperature of 120°C, and the yield is about 40%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C(N)N(N)C
(2)InChI: InChI=1/C2H7N3S/c1-5(4)2(3)6/h4H2,1H3,(H2,3,6)
(3)InChIKey: IIGQLQZSWDUOBI-UHFFFAOYAR