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Chemical ID: 5244469
Chemical ID:
5244469
Name [?]:
4,5-dimethyl-2-sulfanyl-2-thioxo-1,3-dioxa-2$l^{5}-phosphacyclopentane
SMILES [?]:
CC1C(OP(=S)(O1)S)C
InChi [?]:
InChI=1/C4H9O2PS2/c1-3-4(2)6-7(8,9)5-3/h3-4H,1-2H3,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,9,2,3,7,4,5,6,8/E:(1,2)(3,4)(5,6)(8,9)/rA:9cCCCOPSOSC/rB:s1;s2;s3;s4;d5;s2s5;s5;s3;/rC:;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H9O2PS2 |
All Atoms: | 9 |
Heavy Atoms: | 9 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.04103 |
Area: | 320.605 |
Solvation: | -1.97409 |
Coulombic: | -18.7865 |
Bond Count [?]
All: | 9 |
Single: | 8 |
Double: | 1 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 184.219 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.34 |
LogP (Chemaxon): | 1.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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