| CAS Number | 915402-18-5 |
| Catalog Number | AG00GV09(AGN-PC-0WOSTB) |
| Chemical Name | (1,1-Dioxo-tetrahydrothiophen-3-yl)-prop-2-ynyl-amine hydrochloride |
| IUPAC Name | 1,1-dioxo-N-prop-2-ynylthiolan-3-amine;hydrochloride |
| InChI | InChI=1S/C7H11NO2S.ClH/c1-2-4-8-7-3-5-11(9,10)6-7;/h1,7-8H,3-6H2;1H |
| InChI Key | JMSFIQZLOUSPKH-UHFFFAOYSA-N |
| MDL Number | MFCD08706425 |
| Molecular Formula | C7H12ClNO2S |
| Molecular Weight | 209.6937 |
| SMILES | Cl.O=S1(CC(NCC#C)CC1)=O |
| Synonyms | 915402-18-5,
3-[(Prop-2-yn-1-yl)amino]-1lambda6-thiolane-1,1-dione hydrochloride,
EN300-50270,
(1,1-Dioxo-tetrahydrothiophen-3-yl)-prop-2-ynyl-amine hydrochloride,
3-(PROP-2-YN-1-YLAMINO)-1$L^{6}-THIOLANE-1,1-DIONE HYDROCHLORIDE,
AC1Q3EUP,
3-(prop-2-yn-1-ylamino)-1,
CTK5J0815,
AKOS026742695,
MCULE-4493208476,
NE42245,
3-[(prop-2-yn-1-yl)amino]-1??-thiolane-1,1-dione hydrochloride,
3-[(prop-2-yn-1-yl)amino]-1$l^{6}-thiolane-1,1-dione hydrochloride,
-prop-2-ynyl-aminehydrochloride,
(1,1-Dioxo-tetrahydrothiophen-3-yl)-prop-2-ynyl-amine hydroc,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.688g/mol |
| Monoisotopic Mass | 209.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number