AB58595
61832-41-5 | 1-Methylamino-1-methylthio-2-nitroethylene
Manufacturer: A2B Chem
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CatalogNumber
AB58595
ChemicalName
1-Methylamino-1-methylthio-2-nitroethylene
CasNumber
61832-41-5
MolecularFormula
C4H8N2O2S
MolecularWeight
148.1835
MdlNumber
MFCD00040994
Smiles
CNC(=CN(=O)=O)SC
Complexity
129
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AB58595
ChemicalName: 1-Methylamino-1-methylthio-2-nitroethylene
CasNumber: 61832-41-5
MolecularFormula: C4H8N2O2S
MolecularWeight: 148.1835
MdlNumber: MFCD00040994
Smiles: CNC(=CN(=O)=O)SC
Complexity: 129
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AB58595
ChemicalName:
1-Methylamino-1-methylthio-2-nitroethylene
CasNumber:
61832-41-5
MolecularFormula:
C4H8N2O2S
MolecularWeight:
148.1835
MdlNumber:
MFCD00040994
Smiles:
CNC(=CN(=O)=O)SC
Complexity:
129
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: AB58596
ChemicalName: 1-Methyl-2,4(1h,3h)-pyrimidinedione
CasNumber: 615-77-0
MolecularFormula: C5H6N2O2
MolecularWeight: 126.11334000000001
MdlNumber: MFCD00038666
Smiles: Cn1ccc(=O)[nH]c1=O
Complexity: 185
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: -1.2
CatalogNumber:
AB58596
ChemicalName:
1-Methyl-2,4(1h,3h)-pyrimidinedione
CasNumber:
615-77-0
MolecularFormula:
C5H6N2O2
MolecularWeight:
126.11334000000001
MdlNumber:
MFCD00038666
Smiles:
Cn1ccc(=O)[nH]c1=O
Complexity:
185
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
-1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]c2c([nH]1)c(=O)n(c(=O)[nH]2)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]c2c([nH]1)c(=O)n(c(=O)[nH]2)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB58598
ChemicalName: 1-Methyl-1H-purine-2,6(3H,7H)-dione
CasNumber: 6136-37-4
MolecularFormula: C6H6N4O2
MolecularWeight: 166.13744
MdlNumber: MFCD00005561
Smiles: Cn1c(=O)[nH]c2c(c1=O)[nH]cn2
Complexity: 242
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: -0.3
CatalogNumber:
AB58598
ChemicalName:
1-Methyl-1H-purine-2,6(3H,7H)-dione
CasNumber:
6136-37-4
MolecularFormula:
C6H6N4O2
MolecularWeight:
166.13744
MdlNumber:
MFCD00005561
Smiles:
Cn1c(=O)[nH]c2c(c1=O)[nH]cn2
Complexity:
242
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
-0.3