2-Methyl-3-thiosemicarbazide

• CAS: 6938-68-7
• Catalog Number: ACM6938687
• Category: Main Products
• Molecular Weight: 105.16
• Molecular Formula: C₂H₇N₃S
• Synonyms: 2-methylthiosemicarbazide; 2-N-methyl-3-thiosemicarbazide; 1-Methylhydrazinecarbothioamide; 2-Methyl-3-thiosemicarbazide; N-Methyl-N-thiocarbamoyl-hydrazin; IIGQLQZSWDUOBI-UHFFFAOYSA
• IUPAC Name: 1-amino-1-methylthiourea
• SMILES: CN(C(=S)N)N
• InChI Key: IIGQLQZSWDUOBI-UHFFFAOYSA-N
• Boiling Point: 196.4ºC at 760 mmHg
• Melting Point: 173-175ºC
• Flash Point: 72.6ºC
• Density: 1.295 g/cm³
• Appearance: White powder
• EC Number: 230-071-5
• Exact Mass: 105.03600
• Hazard Statements: Xi: Irritant
• Safety Description: S26-S37/39
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2-Methyl-3-thiosemicarbazide?

The molecular formula of 2-Methyl-3-thiosemicarbazide is C2H7N3S.

What is the molecular weight of 2-Methyl-3-thiosemicarbazide?

The molecular weight of 2-Methyl-3-thiosemicarbazide is 105.17 g/mol.

When was 2-Methyl-3-thiosemicarbazide created?

2-Methyl-3-thiosemicarbazide was created on March 26, 2005.

When was 2-Methyl-3-thiosemicarbazide last modified?

2-Methyl-3-thiosemicarbazide was last modified on October 21, 2023.

What is the IUPAC name of 2-Methyl-3-thiosemicarbazide?

The IUPAC name of 2-Methyl-3-thiosemicarbazide is 1-amino-1-methylthiourea.

What is the InChI of 2-Methyl-3-thiosemicarbazide?

The InChI of 2-Methyl-3-thiosemicarbazide is InChI=1S/C2H7N3S/c1-5(4)2(3)6/h4H2,1H3,(H2,3,6).

What is the InChIKey of 2-Methyl-3-thiosemicarbazide?

The InChIKey of 2-Methyl-3-thiosemicarbazide is IIGQLQZSWDUOBI-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 2-Methyl-3-thiosemicarbazide?

There are 2 hydrogen bond donor counts in 2-Methyl-3-thiosemicarbazide.

What is the topological polar surface area of 2-Methyl-3-thiosemicarbazide?

The topological polar surface area of 2-Methyl-3-thiosemicarbazide is 87.4Ų.

Is 2-Methyl-3-thiosemicarbazide a canonical compound?

Yes, 2-Methyl-3-thiosemicarbazide is a canonical compound.

Synthetic Use

Downstream Synthesis Route 1

• 6938-68-7
• 95-92-1

• 58909-39-0

Reference: [1] Patent: CN104177305, 2017, B, . Location in patent: Paragraph 0022; 0023; 0024; 0025; 0026; 0027; 0028-0031

* For details of the synthesis route, please refer to the original source to ensure accuracy.