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Chemical ID: 5196942

Chemical ID:

5196942

Name [?]:

4-(p-tolylsulfamoyl)benzenecarbothioamide

SMILES [?]:

Cc1ccc(cc1)NS(=O)(=O)c2ccc(cc2)C(=S)N

InChi [?]:

InChI=1/C14H14N2O2S2/c1-10-2-6-12(7-3-10)16-20(17,18)13-8-4-11(5-9-13)14(15)19/h2-9,16H,1H3,(H2,15,19)

InChi Info:

AuxInfo=1/1/N:1,3,7,14,16,4,6,13,17,2,15,5,12,18,20,8,10,11,19,9/E:(2,3)(4,5)(6,7)(8,9)(17,18)/CRV:20.6/rA:20nCCCCCCCNSOOCCCCCCCSN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₄N₂O₂S₂
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2551
Area:	486.942
Solvation:	-1.91844
Coulombic:	-30.9529

Bond Count [?]

All:	21
Single:	12
Double:	9
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	306.405
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	2.61
LogP (Chemaxon):	2.46

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value