2-Naphthalenethiol

CAT: 0024-sc-238165Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238165Size:5 g

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CAS Number

91-60-1

Chemical Information

2-Naphthalenethiol

2-Naphthalenethiol is a member of naphthalenes.

CAS Number	91-60-1
PubChem CID	7058
IUPAC Name	naphthalene-2-thiol
Molecular Formula	C10H8S
Molecular Weight	160.24
XLogP	3.7
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	133

SMILES

C1=CC=C2C=C(C=CC2=C1)S

InChI

InChI=1S/C10H8S/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H

InChIKey

RFCQDOVPMUSZMN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91-60-1

CID: 7058

Formula: C10H8S

MW: 160.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.24
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	160.03467143
Monoisotopic Mass	160.03467143
Topological Polar Surface Area	1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	133
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
sc-309014	2,7-Naphthalenedithiol
sc-495982	Syn-1,2-Dihydro-1,2-naphthalenediol
sc-483869	2-Methyl-1,4-naphthalenediol-d8
sc-251639B	(1R,2S) -cis-1,2-Dihydro-1,2-naphthalenediol
sc-251639A	(1R,2S) -cis-1,2-Dihydro-1,2-naphthalenediol
sc-251639	(1R,2S) -cis-1,2-Dihydro-1,2-naphthalenediol
sc-288434	2,4-Dinitroso-1,3-naphthalenediol tetrahydrate
sc-288434A	2,4-Dinitroso-1,3-naphthalenediol tetrahydrate
sc-474124	1,2,3,4-Tetrahydro-5- (2-oxiranylmethoxy) - (2R,3S) -rel-2,3-naphthalenediol
sc-473847	1,2,3,4-Tetrahydro-5- (2-oxiranylmethoxy) - (2R,3S) -rel-2,3-naphthalenediol-D5

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