5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dithione


Chemical Name: 5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidine-2,4-dithione
CAS Number: 37471-07-1
Product Number: AG00D2WM(AGN-PC-0JWUGO)
Synonyms:
MDL No:
Molecular Formula: C10H10N2S3
Molecular Weight: 254.3948

Identification/Properties


Computed Properties
Molecular Weight:
254.384g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
254.001g/mol
Monoisotopic Mass:
254.001g/mol
Topological Polar Surface Area:
117A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
318
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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