2-(carbamothioylamino)benzoic acid

2-(carbamothioylamino)benzoic acid

Formula: C8H8N2O2S

SMILES: NC(=S)NC1=CC=CC=C1C(O)=O

IUPAC: 2-(carbamothioylamino)benzoic acid

InChI: InChI=1S/C8H8N2O2S/c9-8(13)10-6-4-2-1-3-5(6)7(11)12/h1-4H,(H,11,12)(H3,9,10,13)

Composition: C (48.97%), H (4.11%), N (14.28%), O (16.31%), S (16.34%)

Molar Mass: 196.22

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.03064868
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	GGSMMCFFEBSAKX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.84
Topological Polar Surface Area	75.35
Polarizability	20.21
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H8N2O2S		Quote Only