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Structure

2-Methyl-3-thiosemicarbazide

CAS
6938-68-7
Catalog Number
ACM6938687
Category
Main Products
Molecular Weight
105.16
Molecular Formula
C2H7N3S

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Specification

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
Canonical 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
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.

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.

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