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2-(ethylsulfanyl)ethane-1-thiol

CAT: 0572-TRC-E902323-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E902323-100MGSize:100 mg
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CAS Number
26750-44-7
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Smiles
CCSCCS
Molecular Formula
C4H10S2
Molecular Weight
122.25
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Ethylthioethanethiol

2-(ethylsulfanyl)ethanethiol is an aliphatic sulfide and an alkanethiol.

CAS Number26750-44-7
PubChem CID33596
IUPAC Name2-ethylsulfanylethanethiol
Molecular FormulaC4H10S2
Molecular Weight122.3
XLogP1.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity21
SMILES
CCSCCS
InChI
InChI=1S/C4H10S2/c1-2-6-4-3-5/h5H,2-4H2,1H3
InChIKey
IYQVQZXLTJHEKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylthioethanethiol
CAS: 26750-44-7
CID: 33596
Formula: C4H10S2
MW: 122.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.3
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass122.02239267
Monoisotopic Mass122.02239267
Topological Polar Surface Area26.3 Ų
Heavy Atom Count6
Formal Charge0
Complexity21.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GAA05245-011- (Ethylsulfanyl) -2-{[2- (ethylsulfanyl) ethyl]sulfanyl}ethane
SAA10966-012- (Phenylsulfanyl) ethane-1-thiol
RQB71681-011- (2-Chlorophenyl) ethane-1-thiol
CHA74862-012- (2-Iodophenyl) ethane-1-thiol
AJB46554-011- (2-Methoxyphenyl) ethane-1-thiol
CWB54265-011- (2-Fluorophenyl) ethane-1-thiol
HCA66085-012- (tert-Butylsulfanyl) ethane-1-thiol
ZAB73949-012- (4-Methoxyphenoxy) ethane-1-thiol
YDA48788-012- (4-Nitrophenoxy) ethane-1-thiol
IBA74433-012- (Methylamino) ethane-1-thiol hydrochloride

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