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(hydroxymethyl)thiourea structure

(hydroxymethyl)thiourea
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1. Names and Identifiers
1.1 Name
(hydroxymethyl)thiourea
1.2 Synonyms
(hydroxymethyl)thiourea; 1-(Hydroxymethyl)thiourea; 213-675-3; Hydroxymethylthiourea; Methylolthiourea; N-(Hydroxymethyl)thiourea; Thiourea, (hydroxymethyl)-; Thiourea, N-(hydroxymethyl)-; Urea, 1-(hydroxymethyl)-2-thio-;
1.3 CAS No.
1000-83-5
1.4 CID
3033999
1.5 EINECS
213-675-3
1.6 Molecular Formula
C2H6N2OS
1.7 Inchi
InChI=1S/C2H6N2OS/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6)
1.8 InChkey
CALBDOUFMLLGQH-UHFFFAOYSA-N
1.9 Canonical Smiles
C(NC(=S)N)O
1.10 Isomers Smiles
C(NC(=S)N)O
2. Properties
2.1 pKa
13.22±0.10(Predicted)
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available
Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

View all
4. NMR Spectrum
13C NMR : Predict  
1H NMR : Predict  
5. Synthesis Route
1000-83-5Total: 2 Synthesis Route
 
50-00-0
50-00-0 58 Suppliers
 
17356-08-0
17356-08-0
 
1000-83-5
1000-83-5 3 Suppliers
 
50-00-0
50-00-0 58 Suppliers
 
7732-18-5
7732-18-5 267 Suppliers
 
17356-08-0
17356-08-0
 
1000-83-5
1000-83-5 3 Suppliers
6. Precursor and Product
precursor:
17356-08-0
17356-08-0
50-00-0
50-00-0
7732-18-5
7732-18-5
product:
159582-43-1
159582-43-1
159582-44-2
159582-44-2
7. Computed Properties
  • Molecular Weight：106.143g/mol
  • Molecular Formula：C2H6N2OS
  • Compound Is Canonicalized：True
  • XLogP3-AA：106.02008399
  • Monoisotopic Mass：106.02008399
  • Complexity：55.5
  • Rotatable Bond Count：1
  • Hydrogen Bond Donor Count：3
  • Hydrogen Bond Acceptor Count：2
  • Topological Polar Surface Area：90.4
  • Heavy Atom Count：：6
  • Defined Atom Stereocenter Count：0
  • Undefined Atom Stereocenter Count：0
  • Defined Bond Stereocenter Count：0
  • Undefined Bond Stereocenter Count：0
  • Isotope Atom Count：0
  • Covalently-Bonded Unit Count：1
  • CACTVS Substructure Key Fingerprint：AAADcYBDIABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFgQQCAAAAAAAAAYBAALAAgAEAAAAAAAAAAAAAAkAAIAIAAGAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
8. Toltal 3 Suppliers View more
(Hydroxymethyl)thiourea
Dayang Chem (Hangzhou) Co., Ltd.
 1YR   China
Tel: Update Time:2024/06/17
inquire
(hydroxymethyl)thiourea
CHEMICAL LAND21
South Korea
Tel: Update Time:2019/11/25
inquire
(hydroxymethyl)thiourea
CHEMICAL LAND21
Korea
Tel: Update Time:2022/01/01
inquire
9. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Msds
4. NMR Spectrum
5. Synthesis Route
6. Precursor and Product
7. Computational chemical data
8. Toltal 3 Suppliers
9. Realated Product Infomation
 
 
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