2,2'-Dithiobisbenzoic Acid

CAT: 0572-TRC-D493990-25GSize: 25 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-D493990-25GSize:25 g

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CAS Number

119-80-2

Hazard Statement

No Data Available

Smiles

OC(=O)c1ccccc1SSc2ccccc2C(=O)O

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

Dithiodibenzoic acid

CAS Number	119-80-2
PubChem CID	8409
IUPAC Name	2-[(2-carboxyphenyl)disulfanyl]benzoic acid
Molecular Formula	C14H10O4S2
Molecular Weight	306.4
XLogP	3.1
Topological Polar Surface Area	125
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	327

SMILES

C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)

InChIKey

LBEMXJWGHIEXRA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119-80-2

CID: 8409

Formula: C14H10O4S2

MW: 306.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	306.4
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	306.00205114
Monoisotopic Mass	306.00205114
Topological Polar Surface Area	125 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	327
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
TRC-D493992-25MG	2,2'-Dithiobisbenzoic-13C12 Acid
TRC-D494000-2G	3,3'-Dithiobisbenzoic Acid, Technical Grade
TRC-D494210-500MG	4,4'-Dithiobisbenzoic Acid Dimethyl Ester
TRC-D494210-1G	4,4'-Dithiobisbenzoic Acid Dimethyl Ester
TRC-D494210-10G	4,4'-Dithiobisbenzoic Acid Dimethyl Ester
TRC-D494000-5G	3,3'-Dithiobisbenzoic Acid, Technical Grade
TRC-D494000-10G	3,3'-Dithiobisbenzoic Acid, Technical Grade
TRC-D494200-2.5G	4,4'-Dithiobisbenzoic Acid, Technical Grade
TRC-D494200-1G	4,4'-Dithiobisbenzoic Acid, Technical Grade
TRC-D494200-5G	4,4'-Dithiobisbenzoic Acid, Technical Grade

Catalog	Name
FD22557-01	2,2'-Dithiobisbenzoic acid
FD22559-01	4,4'-Dithiobisbenzoic acid
sc-209691	3,3'-Dithiobisbenzoic Acid
272884-01	3,3'-Dithiobisbenzoic acid, technical grade
sc-210169	4,4'-Dithiobisbenzoic Acid Dimethyl Ester
D3780-25C	4,4'-Dithiobisbenzoic Acid, Technical Grade
D3780-25E	4,4'-Dithiobisbenzoic Acid, Dimethyl Ester
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