200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 865888-12-6
865888-12-6 | 1-Buten-3-yne-1-thione
CAS No: 865888-12-6 Catalog No: AG004U19 MDL No:
Product Description
Catalog Number:
AG004U19
Chemical Name:
1-Buten-3-yne-1-thione
CAS Number:
865888-12-6
Molecular Formula:
C4H2S
Molecular Weight:
82.1237
IUPAC Name:
but-1-en-3-yne-1-thione
InChI:
InChI=1S/C4H2S/c1-2-3-4-5/h1,3H
InChI Key:
JVVNPDKMVCKATR-UHFFFAOYSA-N
SMILES:
S=C=CC#C
Properties
Complexity:
98.1
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
81.988g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
82.12g/mol
Monoisotopic Mass:
81.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Ring opening of 2,5-didehydrothiophene: matrix photochemistry of C4H2S isomers. | The Journal of organic chemistry 20061222 |
| Ring opening of 2,5-didehydrothiophene: structures and rearrangements of C4H2S isomers. | The Journal of organic chemistry 20050930 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.