200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 18218-84-3
18218-84-3 | 1-Buten-3-yne, 1-[(1,1-dimethylethyl)thio]-
CAS No: 18218-84-3 Catalog No: AG0023FZ MDL No:
Product Description
Catalog Number:
AG0023FZ
Chemical Name:
1-Buten-3-yne, 1-[(1,1-dimethylethyl)thio]-
CAS Number:
18218-84-3
Molecular Formula:
C8H12S
Molecular Weight:
140.2459
IUPAC Name:
2-but-1-en-3-ynylsulfanyl-2-methylpropane
InChI:
InChI=1S/C8H12S/c1-5-6-7-9-8(2,3)4/h1,6-7H,2-4H3
InChI Key:
VOUSDJAXPDLLIP-UHFFFAOYSA-N
SMILES:
C#CC=CSC(C)(C)C
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.066g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.244g/mol
Monoisotopic Mass:
140.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.