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76186-04-4 | (S);-4-Isopropylthiazolidine-2-thione
CAS No: 76186-04-4 Catalog No: AG003CMM MDL No:MFCD03844797
Product Description
Catalog Number:
AG003CMM
Chemical Name:
(S);-4-Isopropylthiazolidine-2-thione
CAS Number:
76186-04-4
Molecular Formula:
C6H11NS2
Molecular Weight:
161.2882
MDL Number:
MFCD03844797
IUPAC Name:
(4S)-4-propan-2-yl-1,3-thiazolidine-2-thione
InChI:
InChI=1S/C6H11NS2/c1-4(2)5-3-9-6(8)7-5/h4-5H,3H2,1-2H3,(H,7,8)/t5-/m1/s1
InChI Key:
CWIZUGZKLJDJLE-RXMQYKEDSA-N
SMILES:
CC([C@H]1CSC(=S)N1)C
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
161.033g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.281g/mol
Monoisotopic Mass:
161.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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