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100139-39-7 | Carbamimidothioic acid, 2-propenyl-, ethyl ester (9CI)
CAS No: 100139-39-7 Catalog No: AG00012Z MDL No:
Product Description
Catalog Number:
AG00012Z
Chemical Name:
Carbamimidothioic acid, 2-propenyl-, ethyl ester (9CI)
CAS Number:
100139-39-7
Molecular Formula:
C6H12N2S
Molecular Weight:
144.2379
IUPAC Name:
ethyl N'-prop-2-enylcarbamimidothioate
InChI:
InChI=1S/C6H12N2S/c1-3-5-8-6(7)9-4-2/h3H,1,4-5H2,2H3,(H2,7,8)
InChI Key:
WYXPSPHVEQTFFC-UHFFFAOYSA-N
SMILES:
CCSC(=N)NCC=C
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.072g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.236g/mol
Monoisotopic Mass:
144.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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