200,000+ products from a single source!
sales@angenechem.com
2897-08-7 | 7-(2-Furyl)-1,4-thiazepan-5-one
CAS No: 2897-08-7 Catalog No: AG01FMLC MDL No:MFCD24387727
Product Description
Catalog Number:
AG01FMLC
Chemical Name:
7-(2-Furyl)-1,4-thiazepan-5-one
CAS Number:
2897-08-7
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD24387727
IUPAC Name:
7-(furan-2-yl)-1,4-thiazepan-5-one
InChI:
InChI=1S/C9H11NO2S/c11-9-6-8(13-5-3-10-9)7-2-1-4-12-7/h1-2,4,8H,3,5-6H2,(H,10,11)
InChI Key:
LDCCICYSDLTBAP-UHFFFAOYSA-N
SMILES:
O=C1NCCSC(C1)c1ccco1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.