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4-[(2-chloro-1,3-thiazol-5-yl)methyl]thiomorpholine

4-[(2-chloro-1,3-thiazol-5-yl)methyl]thiomorpholine

CAS: 677749-63-2

Formula: C8H11ClN2S2

SMILES: ClC1=NC=C(CN2CCSCC2)S1

IUPAC: 4-[(2-chloro-1,3-thiazol-5-yl)methyl]thiomorpholine

InChI: InChI=1S/C8H11ClN2S2/c9-8-10-5-7(13-8)6-11-1-3-12-4-2-11/h5H,1-4,6H2

Composition: C (40.93%), H (4.72%), Cl (15.10%), N (11.93%), S (27.31%)

Molar Mass: 234.76

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 234.0052184
Formal Charge 0
FSP3 0.62
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VQKQGZVLXBCNED-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.98
Topological Polar Surface Area 16.13
Polarizability 23.19
Ring Count 2
Rotatable Bond Count 2

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