Chemical ID: 6690457

COC(=O)CCSCC(=O)OC
Chemical ID:
6690457
Name [?]:
methyl 3-(methoxycarbonylmethylsulfanyl)propanoate
SMILES [?]:
COC(=O)CCSCC(=O)OC
InChi [?]:
InChI=1/C7H12O4S/c1-10-6(8)3-4-12-5-7(9)11-2/h3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,5,6,8,3,9,4,10,2,11,7/rA:12nCOCOCCSCCOOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s9;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H12O4S
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.26402
Area:384.903
Solvation:-3.35855
Coulombic:-35.7861
Bond Count [?]
All:11
Single:9
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:192.234
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.55
LogP (Chemaxon):0.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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