Benzenecarbodithioic acid

HCID 67141CAS 121-68-6
Substructure searchFind similar structures

Basic information

Standard SMILES
S=C(S)c1ccccc1
InChIKey
ZGRWZUDBZZBJQB-UHFFFAOYSA-N
Molecular formula
C7H6S2
Average molar mass
154.3 g/mol
Monoisotopic mass
153.99109254

Names & identifiers

Preferred name
Benzenecarbodithioic acid
IUPAC
benzenecarbodithioic acid
English name
dithiobenzoic acid
Molecular formula
C7H6S2
Molecular weight
154.25

Names & synonyms

Benzenecarbodithioic acidDithiobenzoic acid121-68-6U9MSY3N8YBBenzoic acid, dithio-EINECS 204-491-4DTXSID0059532RefChem:562997DTXCID5033678204-491-4benzodithioic acidUNII-U9MSY3N8YB
Show more names
SKL027
benzolcarbodithiosäureSCHEMBL35105UPCMLD00WV-104SCHEMBL1276447SCHEMBL4282297SCHEMBL4282300ZGRWZUDBZZBJQB-UHFFFAOYSA-MFCD21363106

Database identifiers

CAS
121-68-6
PubChem CID
67141
DTXSID
DTXSID0059532
UNII
U9MSY3N8YB
EC Number
204-491-4
Nikkaji
J297.770B

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
33.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Melting point
208 °C · 208 °C
Boiling point
88 · 88-89 °C(Press: 2 Torr)
Density
1.22 · 1.220±0.06 g/cm3(Predicted)
pka
2 · 2.00±0.20(Predicted)
FDA UNII
9 MSY3N8YB · U9MSY3N8YB
EPA Substance Registry System
Benzenecarbodithioic acid (121-68-6)

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenecarbodithioic acid: INACTIVE

Upstream & downstream products

Suppliers4 total

陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]

Related reactions

26 records
New reaction record

Linked notes

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