Home Other Building Blocks (pentan-3-yl)thiourea

(pentan-3-yl)thiourea

CAS No.:
854654-68-5
Catalog Number:
AG01BVGT
Molecular Formula:
C6H14N2S
Molecular Weight:
146.2538
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Product Description
Catalog Number:
AG01BVGT
Chemical Name:
(pentan-3-yl)thiourea
CAS Number:
854654-68-5
Molecular Formula:
C6H14N2S
Molecular Weight:
146.2538
MDL Number:
MFCD10692845
IUPAC Name:
pentan-3-ylthiourea
InChI:
InChI=1S/C6H14N2S/c1-3-5(4-2)8-6(7)9/h5H,3-4H2,1-2H3,(H3,7,8,9)
InChI Key:
XHYQVOGCMGVXLB-UHFFFAOYSA-N
SMILES:
CCC(NC(=S)N)CC
Properties
Complexity:
89.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.088g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
146.252g/mol
Monoisotopic Mass:
146.088g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties