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139299-36-8 | Thiourea, N-butyl-N'-cyclopropyl-
CAS No: 139299-36-8 Catalog No: AG001APG MDL No:
Product Description
Catalog Number:
AG001APG
Chemical Name:
Thiourea, N-butyl-N'-cyclopropyl-
CAS Number:
139299-36-8
Molecular Formula:
C8H16N2S
Molecular Weight:
172.2910
IUPAC Name:
1-butyl-3-cyclopropylthiourea
InChI:
InChI=1S/C8H16N2S/c1-2-3-6-9-8(11)10-7-4-5-7/h7H,2-6H2,1H3,(H2,9,10,11)
InChI Key:
BJBLXHMBPLOAAG-UHFFFAOYSA-N
SMILES:
CCCCNC(=S)NC1CC1
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.103g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.29g/mol
Monoisotopic Mass:
172.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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