1,1'-(Methylenebis(thio))bis(benzene)

HCID 77097CAS 3561-67-9
Substructure searchFind similar structures

Basic information

Standard SMILES
c1ccc(SCSc2ccccc2)cc1
InChIKey
ZHUPZVIALZHGGP-UHFFFAOYSA-N
Molecular formula
C13H12S2
Average molar mass
232.4 g/mol
Monoisotopic mass
232.03804238

Names & identifiers

Preferred name
1,1'-(Methylenebis(thio))bis(benzene)
IUPAC
phenylsulfanylmethylsulfanylbenzene
English name
Bis(phenylthio)methane
Molecular formula
C13H12S2
Molecular weight
232.36

Names & synonyms

3561-67-9(Methylenebis(thio))bisbenzeneDTXSID201890831,1'-(Methylenebis(thio))bis(benzene)1,1'-[Methylenebis(thio)]bis[benzene]RefChem:1051556DTXCID50111574222-624-4Bis(phenylthio)methanephenylsulfanylmethylsulfanylbenzeneFormaldehyde diphenyl mercaptalDiphenylthiomethane
Show more names
Bis(phenylthio)Bis(thiophenoxy)methaneBis(phenylthio)methane,97%Bis(phenylthio)methane >Bis(phenylthio)methane,98+%Methylenebis(phenyl sulfide)Formaldehydediphenylmercapatal
MFCD00003067Bis(phenyithio)methaneBenzene, 1,1'-[methylenebis(thio)]bis-SCHEMBL777671[(phenylthio)methylthio]benzeneZHUPZVIALZHGGP-UHFFFAOYSA-3EEZ74862LNSC-65477

Database identifiers

CAS
3561-67-9
PubChem CID
77097
DTXSID
DTXSID20189083
UNII
3EEZ74862L
EC Number
222-624-4
Nikkaji
J183.113E

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
50.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
15

Physicochemical properties

Melting point
34 · 34-37 °C(lit.)
Boiling point
194 °C8 · 194 °C8 mm Hg(lit.)
Density
1.2633 · 1.2633 (rough estimate)
refractive index
1.621 · 1.6210 (estimate)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzene, 1,1'-[methylenebis(thio)]bis-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F
13
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
UN 3335
hs_code
29309090
risk_code
36/37/38

Chemistry & industry

Applications · 2 items

UsesBis(phenylthio)methane (PhSCH2SPh) may be used in the synthesis of the following:dihydroxy thioethers[Cu4I4{μ-PhS2CH2SPh}2]n[(η5-C5Me5)MCl2(η1-(PhS)2CH2)] (M=Rh, Ir ; C5Me5= pentamethylcyclopentadienyl)6-deoxy-1,2:3,4-di-O-isopropylidene-α-D-galactoheptodialdo-1,5-pyranose diphenyl dithioacetal

General DescriptionBis(phenylthio)methane (PhSCH2SPh) is a dithioether ligand. It forms coordination complex with silver(I) salts. It participates in the synthesis of (-)-rasfonin.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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