Chemical ID: 5171764

CN(CCS)Cc1ccccc1
Chemical ID:
5171764
Name [?]:
2-(benzyl-methyl-amino)ethanethiol
SMILES [?]:
CN(CCS)Cc1ccccc1
InChi [?]:
InChI=1/C10H15NS/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,12,3,4,6,7,2,5/E:(3,4)(5,6)/rA:12cCNCCSCCCCCCC/rB:s1;s2;s3;s4;s2;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15NS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:7.84017
Area:368.049
Solvation:-1.36107
Coulombic:-9.44008
Bond Count [?]
All:12
Single:9
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:181.299
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.45
LogP (Chemaxon):2.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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