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Home > Thiazole > 1604783-75-6
1604783-75-6 | 2-(1,5,3-dithiazepan-3-yl)ethan-1-ol
CAS No: 1604783-75-6 Catalog No: AG01BVZ0 MDL No:MFCD30089326
Product Description
Catalog Number:
AG01BVZ0
Chemical Name:
2-(1,5,3-dithiazepan-3-yl)ethan-1-ol
CAS Number:
1604783-75-6
Molecular Formula:
C6H13NOS2
Molecular Weight:
179.3035
MDL Number:
MFCD30089326
IUPAC Name:
2-(1,5,3-dithiazepan-3-yl)ethanol
InChI:
InChI=1S/C6H13NOS2/c8-2-1-7-5-9-3-4-10-6-7/h8H,1-6H2
InChI Key:
RPJLFCQBTYQUJB-UHFFFAOYSA-N
SMILES:
OCCN1CSCCSC1
Properties
Complexity:
83.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.044g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.296g/mol
Monoisotopic Mass:
179.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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