Home Other Building Blocks 3-Thiophenemethanol, 4,5-dimethyl-

3-Thiophenemethanol, 4,5-dimethyl-

CAS No.:
119072-18-3
Catalog Number:
AG000I5J
Molecular Formula:
C7H10OS
Molecular Weight:
142.2187
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Product Description
Catalog Number:
AG000I5J
Chemical Name:
3-Thiophenemethanol, 4,5-dimethyl-
CAS Number:
119072-18-3
Molecular Formula:
C7H10OS
Molecular Weight:
142.2187
MDL Number:
MFCD11053922
IUPAC Name:
(4,5-dimethylthiophen-3-yl)methanol
InChI:
InChI=1S/C7H10OS/c1-5-6(2)9-4-7(5)3-8/h4,8H,3H2,1-2H3
InChI Key:
LPJCGFQYTJHIFL-UHFFFAOYSA-N
SMILES:
OCc1csc(c1C)C
Properties
Complexity:
94.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.045g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.216g/mol
Monoisotopic Mass:
142.045g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties