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CAS Number: 54013-55-7
4,4-dimethyl-4,5-dihydrooxazole-2-thiol

Structure

 4,4-dimethyl-4,5-dihydrooxazole-2-thiol
Name: 4,4-dimethyl-4,5-dihydrooxazole-2-thiol
Synonyms:
General Information
Product Number: 54013557

CAS Registry Number 54013-55-7
Name:
2-?Oxazolidinethione, 4,?4-?dimethyl-
2-Oxazoline-2-thiol, 4,4-dimethyl- (7CI)
4,4-Dimethyl-2-oxazolidinethione
4,4-Dimethyloxazolidine-2-thione
NSC 17296
NSC 68392

 

Chemical Formula: C5H9NOS
Exact Mass: 131.04
Molecular Weight: 131.20
m/z: 131.04 (100.0%), 132.04 (6.6%), 133.04 (4.8%)

 

InChI:InChI=1S/C5H9NOS/c1-5(2)3-7-4(8)6-5/h3H2,1-2H3,(H,6,8)

InChI Key:VIMMIOUDVZQBAK-UHFFFAOYSA-N

Canonical SMILES:CC1(COC(=S)N1)C

 

Thermal Properties Value Condition Note
Melting Point 125-128 °C   (1)CAS
Melting Point 124.6-125.8 °C Solv: ethanol (64-17-5) (4)CAS
Melting Point 123.5-124.0 °C   (5)CAS
Melting Point 123-124.5 °C   (6)CAS
Melting Point 121.5-123 °C   (6)CAS
Melting Point 74-76 °C   (7)CAS

Specification

98%
References
  1. (1) Chen, Ning; Tetrahedron 2011, V67(41), P7971-7976 CAPLUS
  2. (4) Somerville, Wm. T.; Journal of Organic Chemistry 1960, V25, P656-7 CAPLUS
  3. (5) Skulski, M.; Canadian Journal of Chemistry 1956, V34, P815-20 CAPLUS
  4. (6) Rosen, A. A.; Journal of the American Chemical Society 1952, V74, P2994-7 CAPLUS
  5. (7) Bluestone, Henry; US 2856277 1958 CAPLUS
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