Chemical ID: 4099624

CSc1c(=O)nc(sn1)Nc2ccccc2
Chemical ID:
4099624
Name [?]:
6-anilino-3-methylsulfanyl-1,2,5-thiadiazin-4-one
SMILES [?]:
CSc1c(=O)nc(sn1)Nc2ccccc2
InChi [?]:
InChI=1/C10H9N3OS2/c1-15-9-8(14)12-10(16-13-9)11-7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12,14)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,11,4,3,7,10,6,9,5,2,8/E:(3,4)(5,6)/rA:16nCSCCONCSNNCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d3s8;s7;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N3OS2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.71097
Area:411.101
Solvation:-1.56656
Coulombic:-34.5647
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.33
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.03
LogP (Chemaxon):3.12

Name Annotations

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Descriptor Annotations

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