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805178-95-4 | Carbamimidothioic acid,(2-imino-3-methyl-5-thiazolidinyl)methyl ester
CAS No: 805178-95-4 Catalog No: AG005KXI MDL No:
Product Description
Catalog Number:
AG005KXI
Chemical Name:
Carbamimidothioic acid,(2-imino-3-methyl-5-thiazolidinyl)methyl ester
CAS Number:
805178-95-4
Molecular Formula:
C6H12N4S2
Molecular Weight:
204.3163
IUPAC Name:
(2-imino-3-methyl-1,3-thiazolidin-5-yl)methyl carbamimidothioate
InChI:
InChI=1S/C6H12N4S2/c1-10-2-4(12-6(10)9)3-11-5(7)8/h4,9H,2-3H2,1H3,(H3,7,8)
InChI Key:
SVJZFTQIMMLTJH-UHFFFAOYSA-N
SMILES:
NC(=N)SCC1SC(=N)N(C1)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
204.31g/mol
Monoisotopic Mass:
204.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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