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499984-83-7 | THIOUREA, 6-BENZOTHIAZOLYL-
CAS No: 499984-83-7 Catalog No: AG006WT5 MDL No:
Product Description
Catalog Number:
AG006WT5
Chemical Name:
THIOUREA, 6-BENZOTHIAZOLYL-
CAS Number:
499984-83-7
Molecular Formula:
C8H7N3S2
Molecular Weight:
209.2913
IUPAC Name:
1,3-benzothiazol-6-ylthiourea
InChI:
InChI=1S/C8H7N3S2/c9-8(12)11-5-1-2-6-7(3-5)13-4-10-6/h1-4H,(H3,9,11,12)
InChI Key:
VNTAMSUZHCDFFP-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc2c(c1)scn2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.285g/mol
Monoisotopic Mass:
209.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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