Quinoline-8-thiocarboxamide

CAT: 0127-OR961932-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR961932-01Size:250 mg

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CAS Number

62216-06-2

MDL Number

MFCD06738915

Purity

95%

Smiles

NC(=S)c1cccc2cccnc12

Chemical Information

Quinoline-8-carbothioamide

CAS Number	62216-06-2
PubChem CID	12351893
IUPAC Name	quinoline-8-carbothioamide
Molecular Formula	C10H8N2S
Molecular Weight	188.25
XLogP	1.3
Topological Polar Surface Area	71
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	205

SMILES

C1=CC2=C(C(=C1)C(=S)N)N=CC=C2

InChI

InChI=1S/C10H8N2S/c11-10(13)8-5-1-3-7-4-2-6-12-9(7)8/h1-6H,(H2,11,13)

InChIKey

QDZPVHAEVIWJKP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62216-06-2

CID: 12351893

Formula: C10H8N2S

MW: 188.25

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	188.25
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	188.04081944
Monoisotopic Mass	188.04081944
Topological Polar Surface Area	71 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FAA82542-01	8- (Methylsulfonyl) quinoline
abx181350-01	Quinoline-8-tributylstannane
sc-227125	8- (Tosylamino) quinoline
DUA28221-01	8- (Tributylstannyl) quinoline
GFA05251-01	8- (Azidomethyl) quinoline
QIA60670-01	8- (Iodomethyl) quinoline
HY-180518	8-Diazomethyl quinoline
sc-262938A	8- (Bromomethyl) quinoline
sc-300102A	8- (Trifluoromethyl) quinoline
FCA70661-01	Quinoline-8-carboxamide