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69390-07-4 | Thiazole, 2-(2-propenylthio)- (9CI)
CAS No: 69390-07-4 Catalog No: AG006003 MDL No:
Product Description
Catalog Number:
AG006003
Chemical Name:
Thiazole, 2-(2-propenylthio)- (9CI)
CAS Number:
69390-07-4
Molecular Formula:
C6H7NS2
Molecular Weight:
157.2565
IUPAC Name:
2-prop-2-enylsulfanyl-1,3-thiazole
InChI:
InChI=1S/C6H7NS2/c1-2-4-8-6-7-3-5-9-6/h2-3,5H,1,4H2
InChI Key:
JVHIWTPPMHVAGE-UHFFFAOYSA-N
SMILES:
C=CCSc1nccs1
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.002g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.249g/mol
Monoisotopic Mass:
157.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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