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Home > Nitro Compounds > 1026026-77-6
1026026-77-6 | 1-(4-nitrophenyl)-3-(prop-2-yn-1-yl)thiourea
CAS No: 1026026-77-6 Catalog No: AG00IXDK MDL No:MFCD01859610
Product Description
Catalog Number:
AG00IXDK
Chemical Name:
1-(4-nitrophenyl)-3-(prop-2-yn-1-yl)thiourea
CAS Number:
1026026-77-6
Molecular Formula:
C10H9N3O2S
Molecular Weight:
235.2624
MDL Number:
MFCD01859610
IUPAC Name:
1-(4-nitrophenyl)-3-prop-2-ynylthiourea
InChI:
InChI=1S/C10H9N3O2S/c1-2-7-11-10(16)12-8-3-5-9(6-4-8)13(14)15/h1,3-6H,7H2,(H2,11,12,16)
InChI Key:
RQMOUGAVNFBSIC-UHFFFAOYSA-N
SMILES:
C#CCNC(=S)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.261g/mol
Monoisotopic Mass:
235.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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