Chemical ID: 4731179

CS(=O)(=O)c1csc(c1Cl)C(=O)Cl
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

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