200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 115816-67-6
115816-67-6 | Propanedioic acid, 2-(hexahydro-4,7-dimethyl-1,3-dithiolo[4,5-b]pyrazin-2-ylidene)-, 1,3-dipropyl ester
CAS No: 115816-67-6 Catalog No: AG000GWZ MDL No:
Product Description
Catalog Number:
AG000GWZ
Chemical Name:
Propanedioic acid, 2-(hexahydro-4,7-dimethyl-1,3-dithiolo[4,5-b]pyrazin-2-ylidene)-, 1,3-dipropyl ester
CAS Number:
115816-67-6
Molecular Formula:
C16H26N2O4S2
Molecular Weight:
374.5186
IUPAC Name:
dipropyl 2-(4,7-dimethyl-3a,5,6,7a-tetrahydro-[1,3]dithiolo[4,5-b]pyrazin-2-ylidene)propanedioate
InChI:
InChI=1S/C16H26N2O4S2/c1-5-9-21-14(19)11(15(20)22-10-6-2)16-23-12-13(24-16)18(4)8-7-17(12)3/h12-13H,5-10H2,1-4H3
InChI Key:
UOIDEMOWEJIQJA-UHFFFAOYSA-N
SMILES:
CCCOC(=O)C(=C1SC2C(S1)N(C)CCN2C)C(=O)OCCC
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.133g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.514g/mol
Monoisotopic Mass:
374.133g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.