200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 77213-87-7
77213-87-7 | 3-Butyne-1-thiol
CAS No: 77213-87-7 Catalog No: AG0036MH MDL No:
Product Description
Catalog Number:
AG0036MH
Chemical Name:
3-Butyne-1-thiol
CAS Number:
77213-87-7
Molecular Formula:
C4H6S
Molecular Weight:
86.1554
IUPAC Name:
but-3-yne-1-thiol
InChI:
InChI=1S/C4H6S/c1-2-3-4-5/h1,5H,3-4H2
InChI Key:
BCBDIPGKPAERPG-UHFFFAOYSA-N
SMILES:
SCCC#C
Properties
Complexity:
47.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
86.019g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
86.152g/mol
Monoisotopic Mass:
86.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Microwave spectrum of 3-butyne-1-thiol: evidence for intramolecular S-H...pi hydrogen bonding. | The journal of physical chemistry. A 20060803 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.