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Chemical ID: 6689957
Chemical ID:
6689957
Name [?]:
2-methylsulfanyl-10H-phenothiazine
SMILES [?]:
CSc1ccc2c(c1)Nc3ccccc3S2
InChi [?]:
InChI=1/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,4,5,8,3,10,7,15,6,9,2,16/rA:16nCSCCCCCCNCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s12;d13;d10s14;s6s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11NS2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.93894 |
Area: | 406.242 |
Solvation: | -1.21711 |
Coulombic: | -14.4844 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 245.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.53 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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