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Home > Thiazole > 1428233-55-9
1428233-55-9 | 7,7-dimethyl-1,4-thiazepane
CAS No: 1428233-55-9 Catalog No: AG018H22 MDL No:MFCD24387703
Product Description
Catalog Number:
AG018H22
Chemical Name:
7,7-dimethyl-1,4-thiazepane
CAS Number:
1428233-55-9
Molecular Formula:
C7H15NS
Molecular Weight:
145.2657
MDL Number:
MFCD24387703
IUPAC Name:
7,7-dimethyl-1,4-thiazepane
InChI:
InChI=1S/C7H15NS/c1-7(2)3-4-8-5-6-9-7/h8H,3-6H2,1-2H3
InChI Key:
YZWAFSCFMWWRJB-UHFFFAOYSA-N
SMILES:
CC1(C)CCNCCS1
Properties
Complexity:
90.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.093g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
145.264g/mol
Monoisotopic Mass:
145.093g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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