AB67753
13431-36-2 | 4-Isopropyl-3-thiosemicarbazide
Manufacturer: A2B Chem
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CatalogNumber
AB67753
ChemicalName
4-Isopropyl-3-thiosemicarbazide
CasNumber
13431-36-2
MolecularFormula
C4H11N3S
MolecularWeight
133.2152
MdlNumber
MFCD00025144
Smiles
NNC(=S)NC(C)C
Complexity
81.4
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
3
RotatableBondCount
1
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CatalogNumber: AB67753
ChemicalName: 4-Isopropyl-3-thiosemicarbazide
CasNumber: 13431-36-2
MolecularFormula: C4H11N3S
MolecularWeight: 133.2152
MdlNumber: MFCD00025144
Smiles: NNC(=S)NC(C)C
Complexity: 81.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AB67753
ChemicalName:
4-Isopropyl-3-thiosemicarbazide
CasNumber:
13431-36-2
MolecularFormula:
C4H11N3S
MolecularWeight:
133.2152
MdlNumber:
MFCD00025144
Smiles:
NNC(=S)NC(C)C
Complexity:
81.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1c(c(F)c(c(c1F)F)F)[B-](c1c(F)c(F)c(c(c1F)F)F)(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F.Cc1ccc(cc1)[I+]c1ccc(cc1)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1c(c(F)c(c(c1F)F)F)[B-](c1c(F)c(F)c(c(c1F)F)F)(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F.Cc1ccc(cc1)[I+]c1ccc(cc1)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1ccc(cc1)C(C)C
Complexity: 169
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1ccc(cc1)C(C)C
Complexity:
169
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1ccc(cc1)C(=O)C)C
Complexity: 152
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1ccc(cc1)C(=O)C)C
Complexity:
152
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__