Home Aminos 1-{[1-(2H-1,3-benzodioxol-5-yl)ethylidene]amino}-3-(oxolan-2-ylmethyl)thiourea

1-{[1-(2H-1,3-benzodioxol-5-yl)ethylidene]amino}-3-(oxolan-2-ylmethyl)thiourea

CAS No.:
571925-98-9
Catalog Number:
AG01A3OD
Molecular Formula:
C15H19N3O3S
Molecular Weight:
321.3947
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Product Description
Catalog Number:
AG01A3OD
Chemical Name:
1-{[1-(2H-1,3-benzodioxol-5-yl)ethylidene]amino}-3-(oxolan-2-ylmethyl)thiourea
CAS Number:
571925-98-9
Molecular Formula:
C15H19N3O3S
Molecular Weight:
321.3947
MDL Number:
MFCD07270770
IUPAC Name:
1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(oxolan-2-ylmethyl)thiourea
InChI:
InChI=1S/C15H19N3O3S/c1-10(11-4-5-13-14(7-11)21-9-20-13)17-18-15(22)16-8-12-3-2-6-19-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H2,16,18,22)/b17-10+
InChI Key:
FFNHTARTRGTYHT-LICLKQGHSA-N
SMILES:
S=C(NN=C(c1ccc2c(c1)OCO2)C)NCC1CCCO1
Properties
Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
321.115g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
321.395g/mol
Monoisotopic Mass:
321.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties