Chemical ID: 6689957

CSc1ccc2c(c1)Nc3ccccc3S2
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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