| CAS Number | 1100509-34-9 |
| Catalog Number | AG00HBO0(AGN-PC-0WCKJU) |
| Chemical Name | 4-Ethynyltetrahydro-2H-thiopyran |
| IUPAC Name | 4-ethynylthiane |
| InChI | InChI=1S/C7H10S/c1-2-7-3-5-8-6-4-7/h1,7H,3-6H2 |
| InChI Key | ZMSXBCFUTCAECH-UHFFFAOYSA-N |
| MDL Number | MFCD23106385 |
| Molecular Formula | C7H10S |
| Molecular Weight | 126.2193 |
| SMILES | C#CC1CCSCC1 |
| Synonyms | 4-ethynyltetrahydro-2H-thiopyran,
1100509-34-9,
4-ETHYNYLTHIANE,
4-Eethynylthiane,
SCHEMBL4012881,
MFCD23106385,
ZINC95743474,
AKOS025403274,
PB39036,
SB10771,
AS-51878,
CS-0050864,
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| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.217g/mol |
| Monoisotopic Mass | 126.05g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number