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89597-75-1 | 1H-Pyrrole, 3-[(3-methoxypropyl)thio]-
CAS No: 89597-75-1 Catalog No: AG003WUS MDL No:
Product Description
Catalog Number:
AG003WUS
Chemical Name:
1H-Pyrrole, 3-[(3-methoxypropyl)thio]-
CAS Number:
89597-75-1
Molecular Formula:
C8H13NOS
Molecular Weight:
171.2599
IUPAC Name:
3-(3-methoxypropylsulfanyl)-1H-pyrrole
InChI:
InChI=1S/C8H13NOS/c1-10-5-2-6-11-8-3-4-9-7-8/h3-4,7,9H,2,5-6H2,1H3
InChI Key:
GZDVPZWFYDLYNB-UHFFFAOYSA-N
SMILES:
COCCCSc1c[nH]cc1
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.072g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.258g/mol
Monoisotopic Mass:
171.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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