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Chemical ID: 4731179
Chemical ID:
4731179
Name [?]:
3-chloro-4-methylsulfonyl-thiophene-2-carbonyl chloride
SMILES [?]:
CS(=O)(=O)c1csc(c1Cl)C(=O)Cl
InChi [?]:
InChI=1/C6H4Cl2O3S2/c1-13(10,11)3-2-12-5(4(3)7)6(8)9/h2H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,9,8,11,10,13,12,3,4,7,2/E:(10,11)/CRV:13.6/rA:13nCSOOCCSCCClCOCl/rB:s1;d2;d2;s2;d5;s6;s7;s5d8;s9;s8;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H4Cl2O3S2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.07906 |
Area: | 366.941 |
Solvation: | -3.09445 |
Coulombic: | -10.9768 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 259.132 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.26 |
LogP (Chemaxon): | 0.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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