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Chemical ID: 4605814
Chemical ID:
4605814
Name [?]:
2-(2-thienylmethyl)thiophene
SMILES [?]:
c1cc(sc1)Cc2cccs2
InChi [?]:
InChI=1/C9H8S2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6H,7H2
InChi Info:
AuxInfo=1/0/N:1,9,2,8,5,10,6,3,7,4,11/E:(1,2)(3,4)(5,6)(8,9)(10,11)/rA:11nCCCSCCCCCCS/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;d9;s7s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8S2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.60603 |
Area: | 341.638 |
Solvation: | -0.934926 |
Coulombic: | -2.68022 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 180.292 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.9 |
LogP (Chemaxon): | 2.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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