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58842-19-6 | 2-(METHYLSULFANYL)-5,6-DIHYDRO-4H-1,3-THIAZINE
CAS No: 58842-19-6 Catalog No: AG00EAGV MDL No:MFCD03783560
Product Description
Catalog Number:
AG00EAGV
Chemical Name:
2-(METHYLSULFANYL)-5,6-DIHYDRO-4H-1,3-THIAZINE
CAS Number:
58842-19-6
Molecular Formula:
C5H9NS2
Molecular Weight:
147.2617
MDL Number:
MFCD03783560
IUPAC Name:
2-methylsulfanyl-5,6-dihydro-4H-1,3-thiazine
InChI:
InChI=1S/C5H9NS2/c1-7-5-6-3-2-4-8-5/h2-4H2,1H3
InChI Key:
FLLBHYISJYFGJV-UHFFFAOYSA-N
SMILES:
CSC1=NCCCS1
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.018g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.254g/mol
Monoisotopic Mass:
147.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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