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Home Other Building Blocks Hexane, 1-(methylthio)-

Hexane, 1-(methylthio)-

CAS No.:
20291-60-5
Catalog Number:
AG0028IY
Molecular Formula:
C7H16S
Molecular Weight:
132.2669
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Product Description
Catalog Number:
AG0028IY
Chemical Name:
Hexane, 1-(methylthio)-
CAS Number:
20291-60-5
Molecular Formula:
C7H16S
Molecular Weight:
132.2669
MDL Number:
MFCD00027301
IUPAC Name:
1-methylsulfanylhexane
InChI:
InChI=1S/C7H16S/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3
InChI Key:
LZRXQHHKXDXOIC-UHFFFAOYSA-N
SMILES:
CCCCCCSC
Properties
Complexity:
35.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.097g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.265g/mol
Monoisotopic Mass:
132.097g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Antibacterial activities of selected Cameroonian spices and their synergistic effects with antibiotics against multidrug-resistant phenotypes. BMC complementary and alternative medicine 20110101
Ecological genomics of Boechera stricta: identification of a QTL controlling the allocation of methionine- vs branched-chain amino acid-derived glucosinolates and levels of insect herbivory. Heredity 20090501
Properties