Chemical ID: 6415668

CSCCC(=O)Nc1nc2ccccc2s1
Chemical ID:
6415668
Name [?]:
N-benzothiazol-2-yl-3-methylsulfanyl-propanamide
SMILES [?]:
CSCCC(=O)Nc1nc2ccccc2s1
InChi [?]:
InChI=1/C11H12N2OS2/c1-15-7-6-10(14)13-11-12-8-4-2-3-5-9(8)16-11/h2-5H,6-7H2,1H3,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,13,11,14,4,3,10,15,5,8,9,7,6,2,16/rA:16nCSCCCONCNCCCCCCS/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2OS2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.47036
Area:442.159
Solvation:-2.58362
Coulombic:-27.0025
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:252.358
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.05
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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