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86794-42-5 | 2-GUANIDINO-4-(HYDROXYMETHYL)THIAZOLE
CAS No: 86794-42-5 Catalog No: AG008EVX MDL No:
Product Description
Catalog Number:
AG008EVX
Chemical Name:
2-GUANIDINO-4-(HYDROXYMETHYL)THIAZOLE
CAS Number:
86794-42-5
Molecular Formula:
C5H8N4OS
Molecular Weight:
172.2082
IUPAC Name:
2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C5H8N4OS/c6-4(7)9-5-8-3(1-10)2-11-5/h2,10H,1H2,(H4,6,7,8,9)
InChI Key:
KKRQPEPCLNGQHS-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1nc(cs1)CO
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
172.206g/mol
Monoisotopic Mass:
172.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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