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101622-02-0 | Carbamothioic acid, dipropyl-, S-ethenyl ester (9CI)
CAS No: 101622-02-0 Catalog No: AG0004ZA MDL No:
Product Description
Catalog Number:
AG0004ZA
Chemical Name:
Carbamothioic acid, dipropyl-, S-ethenyl ester (9CI)
CAS Number:
101622-02-0
Molecular Formula:
C9H17NOS
Molecular Weight:
187.3024
IUPAC Name:
S-ethenyl N,N-dipropylcarbamothioate
InChI:
InChI=1S/C9H17NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h6H,3-5,7-8H2,1-2H3
InChI Key:
CHWUJYMFPBAARB-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)SC=C)CCC
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.103g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.301g/mol
Monoisotopic Mass:
187.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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