Home Other Building Blocks (oxan-4-yl)thiourea

(oxan-4-yl)thiourea

CAS No.:
1153229-49-2
Catalog Number:
AG01AKB9
Molecular Formula:
C6H12N2OS
Molecular Weight:
160.2373
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Product Description
Catalog Number:
AG01AKB9
Chemical Name:
(oxan-4-yl)thiourea
CAS Number:
1153229-49-2
Molecular Formula:
C6H12N2OS
Molecular Weight:
160.2373
MDL Number:
MFCD12088595
IUPAC Name:
oxan-4-ylthiourea
InChI:
InChI=1S/C6H12N2OS/c7-6(10)8-5-1-3-9-4-2-5/h5H,1-4H2,(H3,7,8,10)
InChI Key:
FWRZIRWKVXQQBV-UHFFFAOYSA-N
SMILES:
NC(=S)NC1CCOCC1
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.067g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
160.235g/mol
Monoisotopic Mass:
160.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties