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Chemical ID: 5171764
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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