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64949-23-1 | Ethanethioamide, N-(3-methyl-2(3H)-thiazolylidene)-
CAS No: 64949-23-1 Catalog No: AG00H89C MDL No:
Product Description
Catalog Number:
AG00H89C
Chemical Name:
Ethanethioamide, N-(3-methyl-2(3H)-thiazolylidene)-
CAS Number:
64949-23-1
Molecular Formula:
C6H8N2S2
Molecular Weight:
172.2711
IUPAC Name:
N-(3-methyl-1,3-thiazol-2-ylidene)ethanethioamide
InChI:
InChI=1S/C6H8N2S2/c1-5(9)7-6-8(2)3-4-10-6/h3-4H,1-2H3
InChI Key:
FSYAQXSJRUMGSN-UHFFFAOYSA-N
SMILES:
CC(=S)N=c1sccn1C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.264g/mol
Monoisotopic Mass:
172.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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