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100144-46-5 | 2-Thiophenemethanol, 5-(butylthio)-
CAS No: 100144-46-5 Catalog No: AG00013M MDL No:
Product Description
Catalog Number:
AG00013M
Chemical Name:
2-Thiophenemethanol, 5-(butylthio)-
CAS Number:
100144-46-5
Molecular Formula:
C9H14OS2
Molecular Weight:
202.3369
IUPAC Name:
(5-butylsulfanylthiophen-2-yl)methanol
InChI:
InChI=1S/C9H14OS2/c1-2-3-6-11-9-5-4-8(7-10)12-9/h4-5,10H,2-3,6-7H2,1H3
InChI Key:
VHERGGWIFGOONM-UHFFFAOYSA-N
SMILES:
CCCCSc1ccc(s1)CO
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.33g/mol
Monoisotopic Mass:
202.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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