Chemical ID: 5010859

CC1(SCCCS1)c2ccccc2
Chemical ID:
5010859
Name [?]:
2-methyl-2-phenyl-1,3-dithiane
SMILES [?]:
CC1(SCCCS1)c2ccccc2
InChi [?]:
InChI=1/C11H14S2/c1-11(12-8-5-9-13-11)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,5,9,13,4,6,8,2,3,7/E:(3,4)(6,7)(8,9)(12,13)/rA:13nCCSCCCSCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s2;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14S2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.92031
Area:357.098
Solvation:-1.00714
Coulombic:-4.88666
Bond Count [?]
All:14
Single:11
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:210.361
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.52
LogP (Chemaxon):3.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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