Naphthalene-1-thiocarboxamide

CAT: 0926-VAA30010Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-VAA30010Size:10 g

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CAS Number

20300-10-1

MDL Number

MFCD08164114

Molecular Formula

C11H9NS

Molecular Weight

187.26 g/mol

Controlled

Chemical Information

Naphthalene-1-carbothioamide

CAS Number	20300-10-1
PubChem CID	3981658
IUPAC Name	naphthalene-1-carbothioamide
Molecular Formula	C11H9NS
Molecular Weight	187.26
XLogP	3
Topological Polar Surface Area	58.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	202

SMILES

C1=CC=C2C(=C1)C=CC=C2C(=S)N

InChI

InChI=1S/C11H9NS/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,12,13)

InChIKey

DRCKUACWKCMOCB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20300-10-1

CID: 3981658

Formula: C11H9NS

MW: 187.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.26
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	187.04557046
Monoisotopic Mass	187.04557046
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202
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
AHA33472-01	Isoxazole-5-thiocarboxamide
PCA98586-01	Naphthalene-1-carbonyl naphthalene-1-carboxylate
XDC81519	Anthracene-9-thiocarboxamide
FC14789-01	1-Chloromethyl naphthalene
FN10764-01	Naphthalene-1-carbonitrile
JBA95413-01	3-Aminopyrazole-4-thiocarboxamide
FCA21079-01	1- (Azidomethyl) naphthalene
FN14794-01	1-Naphthalene ethanol
FA12539-01	1- (Aminomethyl) naphthalene
YCA76507-01	1- (1-Bromoethyl) naphthalene

Catalog	Name
OR1028817-01	Naphthalene-1-Thiocarboxamide
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sc-272034	Piperidine-1-thiocarboxamide
OR15911-01	1,3-Thiazole-4-thiocarboxamide
OR29648-01	Thiophene-2-thiocarboxamide
sc-265059	1,4-Benzodioxane-2-thiocarboxamide
452732-01	Isoquinoline-5-thiocarboxamide
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OR23381	2H-1-Benzopyran-3-thiocarboxamide