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915923-05-6 | 2-(3,5-dimethylisoxazol-4-yl)ethanethiol
CAS No: 915923-05-6 Catalog No: AG00GTSD MDL No:MFCD08060041
Product Description
Catalog Number:
AG00GTSD
Chemical Name:
2-(3,5-dimethylisoxazol-4-yl)ethanethiol
CAS Number:
915923-05-6
Molecular Formula:
C7H11NOS
Molecular Weight:
157.2333
MDL Number:
MFCD08060041
IUPAC Name:
2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol
InChI:
InChI=1S/C7H11NOS/c1-5-7(3-4-10)6(2)9-8-5/h10H,3-4H2,1-2H3
InChI Key:
YCAOLMCCUVXXJA-UHFFFAOYSA-N
SMILES:
SCCc1c(C)noc1C
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.231g/mol
Monoisotopic Mass:
157.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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