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142039-93-8 | 1-Butanol, 4-[(3-hydroxypropyl)thio]-
CAS No: 142039-93-8 Catalog No: AG001HLL MDL No:
Product Description
Catalog Number:
AG001HLL
Chemical Name:
1-Butanol, 4-[(3-hydroxypropyl)thio]-
CAS Number:
142039-93-8
Molecular Formula:
C7H16O2S
Molecular Weight:
164.2657
IUPAC Name:
4-(3-hydroxypropylsulfanyl)butan-1-ol
InChI:
InChI=1S/C7H16O2S/c8-4-1-2-6-10-7-3-5-9/h8-9H,1-7H2
InChI Key:
YKRWSOZJQPJEQL-UHFFFAOYSA-N
SMILES:
OCCCSCCCCO
Properties
Complexity:
59.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.087g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.263g/mol
Monoisotopic Mass:
164.087g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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