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Home > Aldehydes > 130317-92-9
130317-92-9 | 1-Piperazinecarbothioaldehyde, 4-acetyl- (9CI)
CAS No: 130317-92-9 Catalog No: AG000U9Z MDL No:MFCD18810854
Product Description
Catalog Number:
AG000U9Z
Chemical Name:
1-Piperazinecarbothioaldehyde, 4-acetyl- (9CI)
CAS Number:
130317-92-9
Molecular Formula:
C7H12N2OS
Molecular Weight:
172.2480
MDL Number:
MFCD18810854
IUPAC Name:
4-acetylpiperazine-1-carbothialdehyde
InChI:
InChI=1S/C7H12N2OS/c1-7(10)9-4-2-8(6-11)3-5-9/h6H,2-5H2,1H3
InChI Key:
IYBAADNGQMARBG-UHFFFAOYSA-N
SMILES:
S=CN1CCN(CC1)C(=O)C
NSC Number:
632918
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.246g/mol
Monoisotopic Mass:
172.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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