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Chemical ID: 7091359

Chemical ID:

7091359

Name [?]:

4,5-dimethyl-2-(5-methylsulfanyl-1,2,4-thiadiazol-3-yl)-3,6-dihydrothiazine 1-oxide

SMILES [?]:

CC1=C(CS(=O)N(C1)c2nc(sn2)SC)C

InChi [?]:

InChI=1/C9H13N3OS3/c1-6-4-12(16(13)5-7(6)2)8-10-9(14-3)15-11-8/h4-5H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,16,15,8,4,2,3,9,11,10,13,7,6,14,12,5/rA:16cCCCCSONCCNCSNSCC/rB:s1;d2;s3;s4;d5;s5;s2s7;s7;s9;d10;s11;d9s12;s11;s14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₉H₁₃N₃OS₃
All Atoms:	29
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	8.34975
Area:	426.591
Solvation:	-2.31502
Coulombic:	-20.0589

Bond Count [?]

All:	17
Single:	13
Double:	4
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	275.417
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	-0.19
LogP (Chemaxon):	2.12

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value