Products for Research Use Only
RegisterLogin

Bis(methylthio)-2-nitroethylene

CAT: 0572-TRC-B497200-250GSize: 250 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-B497200-250GSize:250 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
13623-94-4
Synonyms
1,1-Bis(methylsulfanyl)-2-nitroethene; 1,1-Bis(methylthio)-2-nitroethene; 1-Nitro-2,2-bis(methylmercapto)ethylene; 1-Nitro-2,2-bis(methylthio)ethene; 1-Nitro-2,2-bis(methylthio)ethylene; 2,2-Bis(methylthio)-1-nitroethylene; NSC 241513;
Hazard Statement
No Data Available
Smiles
CSC(=C[N+](=O)[O-])SC
Molecular Formula
C4H7NO2S2
Molecular Weight
165.23
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1,1-Bis(methylthio)-2-nitroethylene

structure

CAS Number13623-94-4
PubChem CID83623
IUPAC Name1,1-bis(methylsulfanyl)-2-nitroethene
Molecular FormulaC4H7NO2S2
Molecular Weight165.2
XLogP1.6
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity123
SMILES
CSC(=C[N+](=O)[O-])SC
InChI
InChI=1S/C4H7NO2S2/c1-8-4(9-2)3-5(6)7/h3H,1-2H3
InChIKey
NXGHEDHQXXXTTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Bis(methylthio)-2-nitroethylene
CAS: 13623-94-4
CID: 83623
Formula: C4H7NO2S2
MW: 165.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.2
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass164.99182081
Monoisotopic Mass164.99182081
Topological Polar Surface Area96.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity123
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

Related Products

CatalogName
TRC-B401069-100MG3,3'-Bis(methylthio)-2,2'-bithiophene
TRC-D101290-1G1,1-Diphenyl-2-nitroethylene
B485948Bis(methylthio)gliotoxin (FR-49175)
TRC-M725628-500MG2-(Methylthio)benzothiazole
TRC-M330500-5G2-(Methylthio)imidazole
TRC-M725628-2.5G2-(Methylthio)benzothiazole
TRC-M725628-250MG2-(Methylthio)benzothiazole
TRC-M330710-100MG2-Methylthio Uracil
TRC-M330710-5G2-Methylthio Uracil
TRC-M330710-1G2-Methylthio Uracil

Alternative Products

CatalogName
004231Bis (methylthio) -2-nitroethylene
MBS6058599-01Bis(methylthio)-2-nitroethylene
GK8862-25g1,1-Bis (methylthio) -2-nitroethylene
abx180950-011,1-Bis(methylthio)-2-nitroethylene
MBS3601494-011,1-Bis (Methylthio)-2-Nitroethylene
MBS5761761, 1-Bis(Methylthio)-2-Nitroethylene
OR30139-011,1-Bis (methylsulphanyl) -2-nitroethylene
OR1082089-012,3-bis (methylthio) benzaldehyde
OR1093509-012,3-bis (methylthio) pyridine
OR1092862-012,5-bis (methylthio) thiazole

Popular Products