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774191-08-1 | 2-(1-METHYL-1H-TETRAZOL-5-YLSULFANYL)-ETHYLAMINE
CAS No: 774191-08-1 Catalog No: AG005BDV MDL No:MFCD05134760
Product Description
Catalog Number:
AG005BDV
Chemical Name:
2-(1-METHYL-1H-TETRAZOL-5-YLSULFANYL)-ETHYLAMINE
CAS Number:
774191-08-1
Molecular Formula:
C4H9N5S
Molecular Weight:
159.2128
MDL Number:
MFCD05134760
IUPAC Name:
2-(1-methyltetrazol-5-yl)sulfanylethanamine
InChI:
InChI=1S/C4H9N5S/c1-9-4(6-7-8-9)10-3-2-5/h2-3,5H2,1H3
InChI Key:
FSDREOUPUVVLSF-UHFFFAOYSA-N
SMILES:
NCCSc1nnnn1C
Properties
Complexity:
99.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.211g/mol
Monoisotopic Mass:
159.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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