AI49229
3766-55-0 | 4-Allylthiosemicarbazide
Manufacturer: A2B Chem
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CatalogNumber
AI49229
ChemicalName
4-Allylthiosemicarbazide
CasNumber
3766-55-0
MolecularFormula
C4H9N3S
MolecularWeight
131.1994
MdlNumber
MFCD00007619
Smiles
NNC(=S)NCC=C
NscNumber
75830
Complexity
91.3
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
-0.1
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CatalogNumber: AI49229
ChemicalName: 4-Allylthiosemicarbazide
CasNumber: 3766-55-0
MolecularFormula: C4H9N3S
MolecularWeight: 131.1994
MdlNumber: MFCD00007619
Smiles: NNC(=S)NCC=C
NscNumber: 75830
Complexity: 91.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AI49229
ChemicalName:
4-Allylthiosemicarbazide
CasNumber:
3766-55-0
MolecularFormula:
C4H9N3S
MolecularWeight:
131.1994
MdlNumber:
MFCD00007619
Smiles:
NNC(=S)NCC=C
NscNumber:
75830
Complexity:
91.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(ccc1S(=O)(=O)Cl)OC(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1cc(ccc1S(=O)(=O)Cl)OC(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1cc(ccc1S(=O)(=O)Cl)C(F)(F)F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1cc(ccc1S(=O)(=O)Cl)C(F)(F)F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__