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133167-72-3 | Carbamothioic acid, N-propyl-, O-(1-methylethyl) ester
CAS No: 133167-72-3 Catalog No: AG0014CI MDL No:
Product Description
Catalog Number:
AG0014CI
Chemical Name:
Carbamothioic acid, N-propyl-, O-(1-methylethyl) ester
CAS Number:
133167-72-3
Molecular Formula:
C7H15NOS
Molecular Weight:
161.2651
IUPAC Name:
O-propan-2-yl N-propylcarbamothioate
InChI:
InChI=1S/C7H15NOS/c1-4-5-8-7(10)9-6(2)3/h6H,4-5H2,1-3H3,(H,8,10)
InChI Key:
FWJOCWFRSGXNIZ-UHFFFAOYSA-N
SMILES:
CCCNC(=S)OC(C)C
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.087g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.263g/mol
Monoisotopic Mass:
161.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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