1, 3- Propylenediisothiocy anate - CAS 52714-52-0
Catalog: |
BB058005 |
Product Name: |
1, 3- Propylenediisothiocy anate |
CAS: |
52714-52-0 |
Synonyms: |
1,3-Diisothiocyanatopropane; Trimethylene diisothiocyanate |
IUPAC Name: | 1,3-diisothiocyanatopropane |
Description: | 1, 3- Propylenediisothiocy anate is a reagent used in the synthesis of thioureido derivatives of 2- amino- 2- deoxy- D- glucose for use as N- acetyl- β- D- hexosaminidase inhibitors. |
Molecular Weight: | 158.24 |
Molecular Formula: | C5H6N2S2 |
Canonical SMILES: | C(CN=C=S)CN=C=S |
InChI: | InChI=1S/C5H6N2S2/c8-4-6-2-1-3-7-5-9/h1-3H2 |
InChI Key: | HSFDFWROECINQQ-UHFFFAOYSA-N |
References: | Tournaire-Arellano, C. et al. Carb. Res., 314, 47 (1998). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20220001866-A | Optical resin composition having high heat resistance and optical resin using it | 20200630 |
TW-202100717-A | Photochromic optical article and manufacturing method thereof | 20190403 |
AU-2020250724-A1 | Photochromic optical article and method for manufacturing same | 20190403 |
CA-3141142-A1 | Photochromic optical article and method for manufacturing same | 20190403 |
EP-3950624-A1 | Photochromic optical article and method for manufacturing same | 20190403 |
AU-2019305813-A1 | Photochromic compound and curable composition containing said photochromic compound | 20180720 |
CA-3105467-A1 | Photochromic compound and curable composition containing said photochromic compound | 20180720 |
CN-112424260-A | Photochromic compound and curable composition containing same | 20180720 |
EP-3825346-A1 | Photochromic compound and curable composition containing said photochromic compound | 20180720 |
US-2021292641-A1 | Photochromic compound and curable composition containing said photochromic compound | 20180720 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.99724055 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.99724055 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 88.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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