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2778-97-4 | Guanidine, N-[2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl]-, sulfate (1:?)
CAS No: 2778-97-4 Catalog No: AG002UQW MDL No:
Product Description
Catalog Number:
AG002UQW
Chemical Name:
Guanidine, N-[2-(tetrahydro-1,4-thiazepin-4(5H)-yl)ethyl]-, sulfate (1:?)
CAS Number:
2778-97-4
Molecular Formula:
C8H20N4O4S2
Molecular Weight:
300.3988
IUPAC Name:
sulfuric acid;2-[2-(1,4-thiazepan-4-yl)ethyl]guanidine
InChI:
InChI=1S/C8H18N4S.H2O4S/c9-8(10)11-2-4-12-3-1-6-13-7-5-12;1-5(2,3)4/h1-7H2,(H4,9,10,11);(H2,1,2,3,4)
InChI Key:
YIUQTUPFJAPHTD-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.NC(=N)NCCN1CCSCCC1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
300.392g/mol
Monoisotopic Mass:
300.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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